| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 28 | No |
Popular Name: 2-[[4-(azepan-1-ylmethyl)-1-piperidyl]methyl]-5-(p-tolyl)-4H-1,2,4-triazole-3-thione 2-[[4-(azepan-1-ylmethyl)-1-pipe…
| 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) | 4.24 | 15.05 | -98.07 | 3 | 5 | 2 | 42 | 401.624 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.24 | 12.67 | -40.85 | 2 | 5 | 1 | 41 | 400.616 | 5 | ↓ |
