In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 15 | Yes |
Popular Name: (1S,3R)-3-[[(1R)-1-(2-thienyl)ethyl]amino]cyclohexanol (1S,3R)-3-[[(1R)-1-(2-thienyl)et…
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) | 2.48 | 3.94 | -35.54 | 3 | 2 | 1 | 37 | 226.365 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 2.9 | -4.02 | 2 | 2 | 0 | 32 | 225.357 | 3 | ↓ |