In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: 2-(2-chlorophenyl)sulfanyl-1-(1,4-diazepan-1-yl)ethanone 2-(2-chlorophenyl)sulfanyl-1-(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) | 1.92 | 7.34 | -50.63 | 2 | 3 | 1 | 37 | 285.82 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 5.98 | -11.93 | 1 | 3 | 0 | 32 | 284.812 | 3 | ↓ |