Compound 2TB
Identifiers
- Canonical SMILES:
[NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H]1O
- IUPAC name:
(1R,3S,4R,5r,6S)-4,5,6-trihydroxycyclohexane-1,3-diaminium
- InChi:
InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5-,6-
- InChiKey:
DTFAJAKTSMLKAT-JDCCYXBGSA-P
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 2tob | June 17, 1998 | Jiang Licong, Patel Dinshaw J.. . Solution structure of the tobramycin–RNA aptamer complex Nature Structural Biology |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 164.20 g/mol | |||
| HBA | not available | |||
| HBD | not available | |||
| HBA + HBD | ||||
| AlogP | not available | |||
| TPSA | not available | |||
| RB | not available |