In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 19 | Yes |
Popular Name: (3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidine-3-carboxylic (3S)-1-[(1S)-1-(2,4-difluorophen…
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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) | 2.58 | 9.4 | -46.82 | 1 | 3 | 0 | 45 | 269.291 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 7.56 | -44.76 | 0 | 3 | -1 | 43 | 268.283 | 3 | ↓ |