| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 23 | Yes |
Popular Name: N-[[2-(hydroxymethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide N-[[2-(hydroxymethyl)phenyl]meth…
None
| 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) | 0.52 | 4.2 | -16.16 | 3 | 5 | 0 | 82 | 308.337 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 4.04 | -51.64 | 2 | 5 | -1 | 85 | 307.329 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
