| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 21 | Yes |
Popular Name: 1-(4-ethyl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)sulfanyl-ethanone 1-(4-ethyl-1,4-diazepan-1-yl)-2-…
| 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) | 2.29 | 8.99 | -45.61 | 1 | 4 | 1 | 34 | 309.455 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 7.14 | -12.27 | 0 | 4 | 0 | 33 | 308.447 | 5 | ↓ |
