In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-4-oxo-2-(3-phenylpropyl)cyclopentanecarboxylic (1R,2R)-4-oxo-2-(3-phenylpropyl)…
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) | 2.46 | 9.71 | -50.47 | 0 | 3 | -1 | 57 | 245.298 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.46 | 7.68 | -12.11 | 1 | 3 | 0 | 54 | 246.306 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4322435 | IBM Patent Data |