In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 23 | Yes |
Popular Name: 2-[(2S)-4-[(2,6-difluorophenyl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol 2-[(2S)-4-[(2,6-difluorophenyl)m…
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) | 3.19 | 5.73 | -30.29 | 2 | 3 | 1 | 28 | 327.439 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 4.1 | -5.62 | 1 | 3 | 0 | 27 | 326.431 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 6.49 | -36.83 | 2 | 3 | 1 | 28 | 327.439 | 6 | ↓ |