In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 24 | Yes |
Popular Name: (2-chlorophenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone (2-chlorophenyl)-[4-(p-tolylmeth…
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) | 3.54 | 12.21 | -41.5 | 1 | 3 | 1 | 25 | 343.878 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.54 | 10.38 | -10.97 | 0 | 3 | 0 | 24 | 342.87 | 3 | ↓ |