| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 19 | No |
Popular Name: 1-(2,2-difluoroethyl)-4-[(5-nitro-3-thienyl)methyl]piperazine 1-(2,2-difluoroethyl)-4-[(5-nitr…
| 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) | 1.87 | 4.5 | -10.76 | 0 | 5 | 0 | 52 | 291.323 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 6.76 | -53.49 | 1 | 5 | 1 | 53 | 292.331 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
