In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 23 | Yes |
Popular Name: (1R)-1-(2,4-difluorophenyl)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanol (1R)-1-(2,4-difluorophenyl)-2-[(…
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) | 2.15 | 4.98 | -33.13 | 2 | 4 | 1 | 37 | 329.411 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 5.1 | -37.85 | 2 | 4 | 1 | 37 | 329.411 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 2.81 | -6.12 | 1 | 4 | 0 | 36 | 328.403 | 7 | ↓ |