In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2009 | 26 | No |
Popular Name: (4-benzyl-1-piperidyl)-[(2R,4S)-2-(3-pyridyl)thiazolidin-4-yl]methanone (4-benzyl-1-piperidyl)-[(2R,4S)-…
None
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) | 2.73 | 9.06 | -9.69 | 1 | 4 | 0 | 45 | 367.518 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 9.52 | -38.47 | 2 | 4 | 1 | 46 | 368.526 | 4 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | US4987132 | IBM Patent Data |