In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 29 | Yes |
Popular Name: (1-ethyl-4-piperidyl)-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidyl]methanone (1-ethyl-4-piperidyl)-[(3S)-3-[4…
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) | 3.02 | 9.96 | -44.41 | 1 | 5 | 1 | 31 | 403.566 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 7.73 | -10.01 | 0 | 5 | 0 | 30 | 402.558 | 4 | ↓ |