In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 18 | Yes |
Popular Name: 3-bromo-4-(4-ethylpiperazin-1-yl)benzoic acid 3-bromo-4-(4-ethylpiperazin-1-yl…
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CAS Number: 1131594-62-1
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) | 2.96 | 9.31 | -70.64 | 1 | 4 | 0 | 48 | 313.195 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 7.09 | -44.28 | 0 | 4 | -1 | 47 | 312.187 | 3 | ↓ |