| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 22 | Yes |
Popular Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperazin-1-yl)methanone [4-(2,5-dimethylpyrrol-1-yl)phen…
| 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) | 1.50 | 10.22 | -48.13 | 1 | 4 | 1 | 30 | 298.41 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 7.87 | -8.52 | 0 | 4 | 0 | 28 | 297.402 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
