| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 21 | No |
Popular Name: Sulcotrione Sulcotrione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 99105-77-8 , [99105-77-8]
1,3-Cyclohexanedione,2-(2-chloro-4-methanesulfonylbenzoyl)-
| 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) | 1.14 | 4.34 | -51.08 | 0 | 5 | -1 | 91 | 327.765 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | -3.15 | -18.62 | 1 | 5 | 0 | 88 | 328.773 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPPD-1-E | 4-hydroxyphenylpyruvate Dioxygenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 45 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPPD_PIG | Q02110 | 4-hydroxyphenylpyruvate Dioxygenase, Pig | 45 | 0.49 | Binding ≤ 1μM |
| HPPD_PIG | Q02110 | 4-hydroxyphenylpyruvate Dioxygenase, Pig | 45 | 0.49 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.