In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 21 | Yes |
Popular Name: [(1S,3R)-3-methyl-1-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanol [(1S,3R)-3-methyl-1-[[4-(trifluo…
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) | 3.74 | 6.27 | -41.12 | 3 | 2 | 1 | 37 | 302.36 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.74 | 5.05 | -4.13 | 2 | 2 | 0 | 32 | 301.352 | 5 | ↓ |