In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 21 | Yes |
Popular Name: 1-[[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]methyl]-N,N-dimethyl-cyclohexan-1-amine 1-[[[(1S)-1-(3,4-difluorophenyl)…
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) | 4.32 | 10.26 | -132.99 | 3 | 2 | 2 | 21 | 298.421 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 8.86 | -38.77 | 2 | 2 | 1 | 16 | 297.413 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 8.24 | -46.79 | 2 | 2 | 1 | 20 | 297.413 | 5 | ↓ |