In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2011 | 24 | Yes |
Popular Name: N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide N-[(2,3-dichlorophenyl)methyl]-N…
None
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) | 4.05 | 8.88 | -13.08 | 1 | 4 | 0 | 53 | 361.228 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.51 | 7.9 | -46.71 | 0 | 4 | -1 | 56 | 360.22 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.