In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2010 | 25 | Yes |
Popular Name: N-[(4-isopropoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide N-[(4-isopropoxyphenyl)methyl]-1…
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) | 3.34 | 6.77 | -10.81 | 2 | 5 | 0 | 71 | 336.391 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 4.83 | -46.56 | 1 | 5 | -1 | 74 | 335.383 | 5 | ↓ |