In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1R,2R)-N2-ethyl-N1-methyl-1-phenyl-N2-(2,2,2-trifluoroethyl)propane-1,2-diamine (1R,2R)-N2-ethyl-N1-methyl-1-phe…
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) | 3.34 | 6.27 | -44.84 | 2 | 2 | 1 | 20 | 275.338 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 5.43 | -3.17 | 1 | 2 | 0 | 15 | 274.33 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 7.31 | -110.26 | 3 | 2 | 2 | 21 | 276.346 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 8.42 | -33.71 | 2 | 2 | 1 | 16 | 275.338 | 7 | ↓ |