| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 1-(3-methyl-2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(3-methyl-2-pyridyl)-2,3,4,5-t…
| 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) | 2.61 | 7.95 | -38.23 | 2 | 3 | 1 | 33 | 240.33 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 8.46 | -93.56 | 3 | 3 | 2 | 34 | 241.338 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
