In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 30 | Yes |
Popular Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2S)-2-(4-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide N-benzyl-N-(2-hydroxyethyl)-2-[(…
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) | 1.52 | 9.72 | -35.13 | 2 | 6 | 1 | 71 | 403.506 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 9.26 | -12.85 | 1 | 6 | 0 | 70 | 402.498 | 7 | ↓ |