| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2009 | 29 | Yes |
Popular Name: 4-[[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazin-1-yl]methyl]benzonitrile 4-[[4-(4,5-dimethyl-2-pyrrol-1-y…
| 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) | 2.94 | 11.38 | -13.01 | 0 | 5 | 0 | 52 | 404.539 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 13.71 | -58.38 | 1 | 5 | 1 | 53 | 405.547 | 4 | ↓ |
