| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 20 | Yes |
Popular Name: (6Z)-4-bromo-6-[5-(2-fluorophenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one (6Z)-4-bromo-6-[5-(2-fluoropheny…
| 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) | 4.09 | 7.98 | -17.01 | 2 | 3 | 0 | 49 | 333.16 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 7.42 | -57.35 | 0 | 3 | -1 | 48 | 332.152 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.30 | 6.92 | -42.81 | 1 | 3 | -1 | 52 | 332.152 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 6.96 | -49.61 | 1 | 3 | -1 | 52 | 332.152 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 6.22 | -10.79 | 2 | 3 | 0 | 49 | 333.16 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
