| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 25 | Yes |
Popular Name: 4-acetyl-N-(2-cyanoethyl)-3-ethyl-5-methyl-N-(2-pyridylmethyl)-1H-pyrrole-2-carboxamide 4-acetyl-N-(2-cyanoethyl)-3-ethy…
| 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) | 1.11 | 8.3 | -21.17 | 1 | 6 | 0 | 90 | 338.411 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 8.72 | -50.96 | 2 | 6 | 1 | 91 | 339.419 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
