| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 13th, 2008 | 30 | Yes |
Popular Name: [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(p-tolyl)methanone [4-[bis(4-fluorophenyl)methyl]pi…
| 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) | 4.75 | 12.71 | -10.61 | 0 | 3 | 0 | 24 | 406.476 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA-2-B | Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial | Bacteria | 1890 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA_MYCTU | P0A5Y6 | Enoyl-[acyl-carrier-protein] Reductase, Myctu | 1890 | 0.27 | Binding ≤ 10μM |
