In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 29 | Yes |
Popular Name: 3-amino-2-phenyl-N-[(1S)-1-(4-pyridyl)propyl]quinoline-4-carboxamide 3-amino-2-phenyl-N-[(1S)-1-(4-py…
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) | 2.94 | 8.03 | -11.08 | 3 | 5 | 0 | 81 | 382.467 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 8.49 | -45.75 | 4 | 5 | 1 | 82 | 383.475 | 5 | ↓ |