| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 20 | Yes |
Popular Name: (2R)-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic (2R)-2-[(1-oxo-2H-isoquinoline-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) | -0.20 | 4.85 | -52.58 | 2 | 6 | -1 | 102 | 273.268 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 2.89 | -112.44 | 1 | 6 | -2 | 105 | 272.26 | 4 | ↓ |
