In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R,2R)-N1-methyl-1-phenyl-N2-propyl-N2-(2,2,2-trifluoroethyl)propane-1,2-diamine (1R,2R)-N1-methyl-1-phenyl-N2-pr…
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) | 3.84 | 5.98 | -38.22 | 2 | 2 | 1 | 20 | 289.365 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.84 | 7.09 | -2.52 | 1 | 2 | 0 | 15 | 288.357 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.84 | 7.82 | -104.59 | 3 | 2 | 2 | 21 | 290.373 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.84 | 9.1 | -33.23 | 2 | 2 | 1 | 16 | 289.365 | 8 | ↓ |