| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 20 | Yes |
Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-1-oxo-2H-isoquinoline-3-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…
| 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) | 1.13 | 3.75 | -9.91 | 2 | 5 | 0 | 73 | 272.304 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 2.79 | -42.41 | 1 | 5 | -1 | 76 | 271.296 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
