In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 17 | Yes |
Popular Name: 2-AMINO-2-(3-BROMO-PHENYL)-HEXANOIC ACID METHYL ESTER 2-AMINO-2-(3-BROMO-PHENYL)-HEXAN…
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CAS Number: 1131594-77-8
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) | 3.97 | 6.47 | -5.06 | 2 | 3 | 0 | 52 | 300.196 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.97 | 6.7 | -43.71 | 3 | 3 | 1 | 54 | 301.204 | 6 | ↓ |