| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 25 | Yes |
Popular Name: 6-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-7H-purine 6-[4-[(1S)-1-(2,4-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) | 2.96 | 9.69 | -10.53 | 1 | 6 | 0 | 61 | 344.369 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 11.5 | -45.58 | 2 | 6 | 1 | 62 | 345.377 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
