In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 33 | Yes |
Popular Name: 4-[(2S)-5-chloro-2-(2-quinolyl)-2H-indol-3-yl]-N-(2-pyridylmethyl)butanamide 4-[(2S)-5-chloro-2-(2-quinolyl)-…
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) | 4.82 | 11.99 | -16.43 | 2 | 5 | 0 | 71 | 454.961 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.82 | 12.4 | -43.95 | 3 | 5 | 1 | 72 | 455.969 | 7 | ↓ |