| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | No |
Popular Name: (Z)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-N-(1-methylpyrazol-3-yl)prop-2-enamide (Z)-3-(1-butyl-2,5-dimethyl-pyrr…
| 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) | 2.38 | 9.88 | -13 | 1 | 6 | 0 | 76 | 325.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 8.68 | -55.59 | 0 | 6 | -1 | 82 | 324.408 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
