| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 22 | Yes |
Popular Name: N-cyclopropyl-N-[(1S)-1,2-dimethylpropyl]-1-oxo-2H-isoquinoline-3-carboxamide N-cyclopropyl-N-[(1S)-1,2-dimeth…
| 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) | 3.21 | 8.87 | -8.52 | 1 | 4 | 0 | 53 | 298.386 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 7.27 | -43.84 | 0 | 4 | -1 | 56 | 297.378 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
