In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 33 | Yes |
Popular Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide 2-[(1S)-2-acetyl-1H-isoquinolin-…
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) | 3.10 | 11.05 | -21.5 | 1 | 7 | 0 | 87 | 467.591 | 5 | ↓ |