In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 28 | Yes |
Popular Name: (4-benzyl-1-piperidyl)-[2-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]methanone (4-benzyl-1-piperidyl)-[2-[(3R)-…
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) | 2.61 | 11 | -38.67 | 2 | 5 | 1 | 53 | 379.528 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 9.75 | -11.71 | 1 | 5 | 0 | 48 | 378.52 | 4 | ↓ |