In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine (1S,2S)-1,2-bis(3,4-difluorophen…
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) | -0.95 | 4.74 | -59.65 | 5 | 2 | 1 | 54 | 285.264 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.95 | 4.59 | -8.96 | 4 | 2 | 0 | 52 | 284.256 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.95 | 5.07 | -161.18 | 6 | 2 | 2 | 55 | 286.272 | 3 | ↓ |