In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 29 | Yes |
Popular Name: 3-hydroxy-2-phenyl-N-[(1S)-1-(2-pyridyl)propyl]quinoline-4-carboxamide 3-hydroxy-2-phenyl-N-[(1S)-1-(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) | 4.26 | 7.83 | -11.97 | 2 | 5 | 0 | 75 | 383.451 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 8.62 | -53.92 | 1 | 5 | -1 | 78 | 382.443 | 5 | ↓ |