In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 25 | Yes |
Popular Name: N-benzyl-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide N-benzyl-N-ethyl-2-[(3R)-3-methy…
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) | 1.81 | 9.57 | -38.04 | 2 | 5 | 1 | 53 | 339.463 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 8.31 | -10.1 | 1 | 5 | 0 | 48 | 338.455 | 5 | ↓ |