| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 22 | No |
Popular Name: (2E)-6,7-dihydroxy-2-[(4-nitrophenyl)methylene]benzofuran-3-one (2E)-6,7-dihydroxy-2-[(4-nitroph…
| 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) | 2.43 | 4.21 | -14.85 | 2 | 7 | 0 | 116 | 299.238 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 5.01 | -47.01 | 1 | 7 | -1 | 119 | 298.23 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AROC-1-B | Chorismate Synthase (cluster #1 Of 1), Bacterial | Bacteria | 4800 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AROC_STRPN | P0A2Y6 | Chorismate Synthase, Strpn | 4800 | 0.34 | Binding ≤ 10μM |
