| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2005 | 24 | No |
Popular Name: 5-[4-(diethylamino)benzylidene]-2-(1-piperidinyl)-1,3-thiazol-4(5H)-one 5-[4-(diethylamino)benzylidene]-…
| 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) | 4.02 | -1.11 | -14.5 | 0 | 4 | 0 | 36 | 343.496 | 5 | ↓ |
| 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 | 6170 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA_MYCTU | P0A5Y6 | Enoyl-[acyl-carrier-protein] Reductase, Myctu | 6170 | 0.30 | Binding ≤ 10μM |
