| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2011 | 21 | Yes |
Popular Name: N-[(5-methylisoxazol-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide N-[(5-methylisoxazol-3-yl)methyl…
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) | 0.17 | 4.46 | -18.9 | 2 | 6 | 0 | 88 | 283.287 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 4.29 | -52.99 | 1 | 6 | -1 | 91 | 282.279 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
