| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 15 | No |
Popular Name: 4,6-Dinitropyrogallol 4,6-Dinitropyrogallol
Find On: PubMed — Wikipedia — Google
CAS Number: 3264-71-9
| 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) | 0.98 | 2.28 | -95.82 | 1 | 9 | -2 | 158 | 214.089 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 1.29 | -36.94 | 2 | 9 | -1 | 155 | 215.097 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXP-1-B | Autoinducer 2-binding Periplasmic Protein LuxP (cluster #1 Of 2), Bacterial | Bacteria | 3000 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXP_VIBHA | P54300 | Autoinducer 2-binding Periplasmic Protein LuxP, Vibha | 3000 | 0.52 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.