In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 17 | Yes |
Popular Name: 3-({[3-(trifluoromethyl)phenyl]methyl}amino)propane-1,2-diol 3-({[3-(trifluoromethyl)phenyl]m…
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) | 1.09 | 0.71 | -49.17 | 4 | 3 | 1 | 57 | 250.24 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.09 | -0.65 | -8.03 | 3 | 3 | 0 | 52 | 249.232 | 6 | ↓ |