In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2011 | 19 | Yes |
Popular Name: 1-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-1,4-diazepan-5-one 1-[2-(3,4-dichlorophenyl)-2-oxo-…
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) | 2.01 | 3.99 | -11.63 | 1 | 4 | 0 | 49 | 301.173 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 5.99 | -53.6 | 2 | 4 | 1 | 51 | 302.181 | 3 | ↓ |