In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2010 | 17 | Yes |
Popular Name: (2R)-2-(4-bromophenyl)-2-(4-methyl-1-piperidyl)ethanamine (2R)-2-(4-bromophenyl)-2-(4-meth…
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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) | 2.69 | 7.44 | -125.74 | 4 | 2 | 2 | 32 | 299.256 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 5.56 | -46.09 | 3 | 2 | 1 | 31 | 298.248 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 7.72 | -32.39 | 3 | 2 | 1 | 30 | 298.248 | 3 | ↓ |