In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 25 | Yes |
Popular Name: (2,4-difluorophenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone (2,4-difluorophenyl)-[4-(p-tolyl…
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) | 3.17 | 11.86 | -44.21 | 1 | 3 | 1 | 25 | 345.413 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.17 | 10.02 | -11.44 | 0 | 3 | 0 | 24 | 344.405 | 3 | ↓ |