| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: 1-(1-methyl-4-piperidyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(1-methyl-4-piperidyl)-2,3,4,5…
| 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) | 1.83 | 7.65 | -88.07 | 3 | 3 | 2 | 24 | 247.386 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 6.39 | -35.05 | 2 | 3 | 1 | 20 | 246.378 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
