In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 14 | Yes |
Popular Name: 3-amino-3-(3-bromo-4-fluorophenyl)propanoic acid 3-amino-3-(3-bromo-4-fluoropheny…
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CAS Number: 682804-41-7
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) | -0.16 | 3.73 | -48.14 | 3 | 3 | 0 | 68 | 262.078 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.16 | 3.43 | -40.88 | 2 | 3 | -1 | 66 | 261.07 | 3 | ↓ |