| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 19 | Yes |
Popular Name: 1-[2-(1-piperidyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[2-(1-piperidyl)ethyl]-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) | 2.35 | 8.72 | -99.69 | 3 | 3 | 2 | 24 | 261.413 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 6.5 | -39.38 | 2 | 3 | 1 | 23 | 260.405 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 7.45 | -34.32 | 2 | 3 | 1 | 20 | 260.405 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
