In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 20 | Yes |
Popular Name: (1R)-1-(4-chlorophenyl)-2-[[(1S,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]ethanol (1R)-1-(4-chlorophenyl)-2-[[(1S,…
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) | 2.94 | 3.92 | -37.93 | 4 | 3 | 1 | 57 | 298.834 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 2.72 | -4.85 | 3 | 3 | 0 | 52 | 297.826 | 5 | ↓ |