| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 22 | Yes |
Popular Name: 3-[[4-hydroxy-4-(hydroxymethyl)-1-piperidyl]methyl]-7-methyl-1H-quinolin-2-one 3-[[4-hydroxy-4-(hydroxymethyl)-…
| 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) | 0.51 | 2.39 | -38.88 | 4 | 5 | 1 | 78 | 303.382 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 0.15 | -12.14 | 3 | 5 | 0 | 77 | 302.374 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
