| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 31 | Yes |
Popular Name: [3-(1-piperidylsulfonyl)-2-thienyl]-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone [3-(1-piperidylsulfonyl)-2-thien…
| 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) | 3.43 | 10.95 | -45.41 | 1 | 6 | 1 | 62 | 462.661 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 9.11 | -9.07 | 0 | 6 | 0 | 61 | 461.653 | 5 | ↓ |
