| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2006 | 23 | No |
Popular Name: 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]ethanone 1-[5-(4-fluorophenyl)-3-(4-metho…
| 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) | 3.14 | 2.66 | -10.03 | 0 | 4 | 0 | 41 | 312.344 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABH-1-B | Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial | Bacteria | 4200 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABH_ECOLI | P0A6R0 | 3-oxoacyl-[acyl-carrier-protein] Synthase 3, Ecoli | 4200 | 0.33 | Binding ≤ 10μM |
