| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2008 | 12 | Yes |
Popular Name: 4-Hydroxyisoquinolin-1(2H)-one 4-Hydroxyisoquinolin-1(2H)-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 30081-72-2 , 31053-30-2
| 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) | 0.47 | 2.08 | -9.06 | 1 | 3 | 0 | 46 | 161.16 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 1.62 | -43.54 | 1 | 3 | -1 | 56 | 160.152 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 0.93 | -11.04 | 2 | 3 | 0 | 53 | 161.16 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.