| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 25 | Yes |
Popular Name: N-benzyl-N-[(1R)-1-methylpropyl]-1-oxo-2H-isoquinoline-3-carboxamide N-benzyl-N-[(1R)-1-methylpropyl]…
| 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) | 4.00 | 10.95 | -10.52 | 1 | 4 | 0 | 53 | 334.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 10.31 | -43.93 | 0 | 4 | -1 | 56 | 333.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
