In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2009 | 18 | Yes |
Popular Name: (4-bromo-1H-pyrrol-2-yl)-(4-isobutylpiperazin-1-yl)methanone (4-bromo-1H-pyrrol-2-yl)-(4-isob…
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) | 2.28 | 7.31 | -47.7 | 2 | 4 | 1 | 41 | 315.235 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 5.44 | -9.19 | 1 | 4 | 0 | 39 | 314.227 | 3 | ↓ |