In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: (2S)-N1-ethyl-3-phenyl-N1-(2,2,2-trifluoroethyl)propane-1,2-diamine (2S)-N1-ethyl-3-phenyl-N1-(2,2,2…
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) | 2.31 | 5.61 | -38.53 | 3 | 2 | 1 | 31 | 261.311 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 5.24 | -3.02 | 2 | 2 | 0 | 29 | 260.303 | 7 | ↓ |