In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 12 | Yes |
Popular Name: (2S)-N'-(2,2-difluoroethyl)-N'-ethyl-2-methyl-propane-1,3-diamine (2S)-N'-(2,2-difluoroethyl)-N'-e…
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) | 0.84 | 2.14 | -42.25 | 3 | 2 | 1 | 31 | 181.25 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 3.89 | -99.16 | 4 | 2 | 2 | 32 | 182.258 | 6 | ↓ |