In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 18 | Yes |
Popular Name: (4-bromo-1-ethyl-pyrrol-2-yl)-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone (4-bromo-1-ethyl-pyrrol-2-yl)-[(…
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) | 1.67 | 6.27 | -46.32 | 2 | 4 | 1 | 42 | 315.235 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 5.12 | -5.77 | 1 | 4 | 0 | 37 | 314.227 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.