| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2010 | 29 | No |
Popular Name: N-[[3-(butanoylamino)phenyl]methyl]-N'-(5-isoquinolyl)oxamide N-[[3-(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) | 2.28 | 5.98 | -14.59 | 3 | 7 | 0 | 100 | 390.443 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 6.45 | -44.76 | 4 | 7 | 1 | 101 | 391.451 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
