In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 28 | Yes |
Popular Name: 2-[(2S)-4-[(2,5-difluorophenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol 2-[(2S)-4-[(2,5-difluorophenyl)m…
None
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) | 3.30 | 7.68 | -39.6 | 2 | 4 | 1 | 37 | 391.482 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 7.58 | -32.82 | 2 | 4 | 1 | 37 | 391.482 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 5.38 | -6.66 | 1 | 4 | 0 | 36 | 390.474 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.