In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2009 | 20 | Yes |
Popular Name: 1-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]cyclohexanecarboxylic 1-[2-oxo-2-[[(1R)-1-(2-thienyl)e…
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) | 2.78 | 8.33 | -57.05 | 1 | 4 | -1 | 69 | 294.396 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.78 | 6.17 | -11.73 | 2 | 4 | 0 | 66 | 295.404 | 5 | ↓ |