In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 29 | Yes |
Popular Name: (4-benzyl-4-hydroxy-1-piperidyl)-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]methanone (4-benzyl-4-hydroxy-1-piperidyl)…
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) | 1.72 | 7.67 | -49.31 | 3 | 6 | 1 | 73 | 395.527 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 6.43 | -9.86 | 2 | 6 | 0 | 69 | 394.519 | 4 | ↓ |