In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 18 | Yes |
Popular Name: (2R)-N-[(2,6-difluorophenyl)methyl]-N',N',3-trimethyl-butane-1,2-diamine (2R)-N-[(2,6-difluorophenyl)meth…
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) | 2.87 | 6.32 | -32.02 | 2 | 2 | 1 | 20 | 257.348 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 7.19 | -28.95 | 2 | 2 | 1 | 16 | 257.348 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 8.7 | -105.21 | 3 | 2 | 2 | 21 | 258.356 | 6 | ↓ |