In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 26 | Yes |
Popular Name: 2-[[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol 2-[[(3R)-4-[(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) | 2.85 | 4.75 | -42.61 | 3 | 4 | 1 | 48 | 363.428 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 4.56 | -45.14 | 3 | 4 | 1 | 48 | 363.428 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 2.4 | -8.39 | 2 | 4 | 0 | 47 | 362.42 | 6 | ↓ |