In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 18 | Yes |
Popular Name: (2R)-3-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-(2-pyridyl)propan-1-amine (2R)-3-[(3S,5R)-3,5-dimethyl-1-p…
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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) | 1.20 | 6.36 | -105.66 | 4 | 3 | 2 | 45 | 249.402 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 5.98 | -29.85 | 3 | 3 | 1 | 43 | 248.394 | 4 | ↓ |