In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 16 | Yes |
Popular Name: 3-bromo-4-(piperazin-1-yl)benzoic acid 3-bromo-4-(piperazin-1-yl)benzoi…
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CAS Numbers: 1131594-67-6 , [1131594-67-6]
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) | 1.98 | 6.41 | -77.68 | 2 | 4 | 0 | 60 | 285.141 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.98 | 4.94 | -44.6 | 1 | 4 | -1 | 55 | 284.133 | 2 | ↓ |