| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 20 | No |
Popular Name: 2-[4-(4-nitro-1H-pyrrole-2-carbonyl)piperazin-1-yl]acetic 2-[4-(4-nitro-1H-pyrrole-2-carbo…
| 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) | -1.36 | 5.9 | -51.67 | 1 | 9 | -1 | 125 | 281.248 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.36 | 3.75 | -81.4 | 0 | 9 | -2 | 124 | 280.24 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.36 | 6.03 | -49.89 | 2 | 9 | 0 | 126 | 282.256 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.36 | 3.91 | -52.3 | 1 | 9 | -1 | 125 | 281.248 | 4 | ↓ |
