In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 28 | Yes |
Popular Name: (3,4-dichlorophenyl)-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone (3,4-dichlorophenyl)-[4-[6-(1-pi…
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) | 3.33 | 12.36 | -12.08 | 0 | 6 | 0 | 53 | 420.344 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 12.69 | -39.35 | 1 | 6 | 1 | 54 | 421.352 | 3 | ↓ |