In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 29 | Yes |
Popular Name: (2-phenyl-4-quinolyl)-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methanone (2-phenyl-4-quinolyl)-[(2S)-2-(3…
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) | 3.78 | 11.96 | -14.35 | 0 | 4 | 0 | 46 | 379.463 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.78 | 12.4 | -44.73 | 1 | 4 | 1 | 47 | 380.471 | 3 | ↓ |