| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | No |
Popular Name: (5E)-5-(4-ethoxy-3-methyl-benzylidene)-2-phenyl-2-thiazolin-4-one (5E)-5-(4-ethoxy-3-methyl-benzyl…
| 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) | 4.76 | -0.57 | -14.27 | 0 | 3 | 0 | 39 | 323.417 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA-3-B | Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial | Bacteria | 10000 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA_MYCTU | P0A5Y6 | Enoyl-[acyl-carrier-protein] Reductase, Myctu | 10000 | 0.30 | Binding ≤ 10μM |
