| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2009 | 21 | Yes |
Popular Name: (4-bromo-1H-pyrrol-2-yl)-[4-(2-pyridylmethyl)piperazin-1-yl]methanone (4-bromo-1H-pyrrol-2-yl)-[4-(2-p…
| 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) | 1.39 | 5.13 | -14.94 | 1 | 5 | 0 | 52 | 349.232 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 7.39 | -55.09 | 2 | 5 | 1 | 53 | 350.24 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 5.46 | -43.61 | 2 | 5 | 1 | 53 | 350.24 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 7.71 | -128.02 | 3 | 5 | 2 | 55 | 351.248 | 3 | ↓ |
