In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2011 | 27 | Yes |
Popular Name: 1-[4-[4-[4-(dimethylaminomethyl)benzoyl]piperazin-1-yl]phenyl]ethanone 1-[4-[4-[4-(dimethylaminomethyl)…
None
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) | 2.19 | 10.88 | -51.56 | 1 | 5 | 1 | 45 | 366.485 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 8.41 | -13.42 | 0 | 5 | 0 | 44 | 365.477 | 5 | ↓ |