| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2011 | 20 | No |
Popular Name: 3-(azepan-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole-2-thione 3-(azepan-1-ylmethyl)-5-phenyl-1…
| 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) | 3.10 | 8.23 | -36.51 | 1 | 4 | 1 | 35 | 290.412 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 6.03 | -7.85 | 0 | 4 | 0 | 34 | 289.404 | 3 | ↓ |
