| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | Yes |
Popular Name: 3-[4-(2-hydroxy-2-methyl-propyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one 3-[4-(2-hydroxy-2-methyl-propyl)…
| 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) | 1.46 | 3.11 | -11.72 | 2 | 6 | 0 | 77 | 329.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 2.21 | -47.89 | 1 | 6 | -1 | 80 | 328.392 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 4.77 | -48.97 | 3 | 6 | 1 | 78 | 330.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
