| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2011 | 27 | Yes |
Popular Name: N-[[4-(butanoylamino)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide N-[[4-(butanoylamino)phenyl]meth…
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| 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) | 1.84 | 7.22 | -21.17 | 3 | 6 | 0 | 91 | 363.417 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.05 | -57.86 | 2 | 6 | -1 | 94 | 362.409 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
