In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 21 | Yes |
Popular Name: (1S,3R)-3-methyl-1-[2-(trifluoromethyl)anilino]cyclohexanecarboxylic (1S,3R)-3-methyl-1-[2-(trifluoro…
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) | 1.89 | 8.79 | -43.79 | 1 | 3 | -1 | 52 | 300.3 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 6.96 | -4.85 | 2 | 3 | 0 | 49 | 301.308 | 4 | ↓ |