In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 29 | Yes |
Popular Name: 3-hydroxy-2-phenyl-N-[(1R)-1-(3-pyridyl)propyl]quinoline-4-carboxamide 3-hydroxy-2-phenyl-N-[(1R)-1-(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) | 3.29 | 7.54 | -12.29 | 2 | 5 | 0 | 75 | 383.451 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 8.32 | -51.25 | 1 | 5 | -1 | 78 | 382.443 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 8.03 | -45.98 | 3 | 5 | 1 | 76 | 384.459 | 5 | ↓ |