| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | No |
Popular Name: 1-(3-nitro-4-pyridyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(3-nitro-4-pyridyl)-2,3,4,5-te…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.92 | 7.32 | -55.3 | 2 | 6 | 1 | 79 | 271.3 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 7.79 | -110.69 | 3 | 6 | 2 | 80 | 272.308 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
