In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 20 | Yes |
Popular Name: 1-(3,4-dichlorophenyl)-2-[4-(dimethylamino)-1-piperidyl]ethanone 1-(3,4-dichlorophenyl)-2-[4-(dim…
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) | 3.19 | 8.12 | -39.44 | 1 | 3 | 1 | 25 | 316.252 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 7.71 | -48.49 | 1 | 3 | 1 | 25 | 316.252 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 10.31 | -112.31 | 2 | 3 | 2 | 26 | 317.26 | 4 | ↓ |