In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 16 | Yes |
Popular Name: (1S)-1-(2,6-difluorophenyl)-N,N-diethyl-ethane-1,2-diamine (1S)-1-(2,6-difluorophenyl)-N,N-…
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) | 1.71 | 4.12 | -40.25 | 3 | 2 | 1 | 31 | 229.294 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.71 | 5.92 | -23.4 | 3 | 2 | 1 | 30 | 229.294 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.71 | 5.85 | -109.02 | 4 | 2 | 2 | 32 | 230.302 | 5 | ↓ |