In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2007 | 34 | Yes |
Popular Name: 4-[(4-benzyl-1,4-diazepan-1-yl)carbonyl]-N-(2,3-dimethylphenyl)-benzenesulfonamide 4-[(4-benzyl-1,4-diazepan-1-yl)c…
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) | 4.03 | -2.29 | -61.71 | 2 | 6 | 1 | 70 | 478.638 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.03 | -1.82 | -79.22 | 1 | 6 | 0 | 72 | 477.63 | 6 | ↓ |