| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 14 | No |
Popular Name: Thiolactomycin Thiolactomycin
| 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) | 2.64 | 5.73 | -4.6 | 0 | 2 | 0 | 34 | 210.298 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 4.74 | -34.91 | 0 | 2 | -1 | 40 | 209.29 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 5.59 | -4.53 | 0 | 2 | 0 | 34 | 210.298 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAB2-1-B | 3-oxoacyl-[acyl-carrier-protein] Synthase 2 (cluster #1 Of 1), Bacterial | Bacteria | 6000 | 0.52 | Binding ≤ 10μM |
| FABH-1-B | Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial | Bacteria | 4000 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAB2_MYCTU | P63456 | 3-oxoacyl-[acyl-carrier-protein] Synthase 2, Myctu | 6000 | 0.52 | Binding ≤ 10μM |
| FABH_MYCTU | P0A574 | 3-oxoacyl-[acyl-carrier-protein] Synthase III, Myctu | 4000 | 0.54 | Binding ≤ 10μM |
