| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 18 | Yes |
Popular Name: 2-(4-methylbenzoyl)benzoic acid 2-(4-methylbenzoyl)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 7148-03-0 , 85-55-2 , [7148-03-0] , [85-55-2]
2-(4-methylbenzoyl)benzenecarboxylic acid
2-(4-methylbenzoyl)benzoicacid
2-(4-Toluoyl)benzoic acid, 98%
2-[(4-methylphenyl)carbonyl]benzoic acid
4'-Methylbenzophenone-2-carboxylic acid
benzoic acid, 2-(4-methylbenzoyl)-
| 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) | 3.37 | 1.71 | -56.73 | 0 | 3 | -1 | 57 | 239.25 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 137 - 139 | Enamine Building Blocks |
| Melting_Point | 137-139? | Alfa-Aesar |
| Melting_Point | 137-139° | Alfa-Aesar |
| MP | 137...139 | Enamine Building Blocks |
| MP | 138 | TCI |
| mp | 139 - 140 | MolMall (formerly Molecular Diversity Preservation International) |
| melting_point | 145 - 146 | KeyOrganics |
| MP | 145-146° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3EZI9-1-V | Hepatitis C Virus NS3 Protease/helicase (cluster #1 Of 3), Viral | Viruses | 1600 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3EZI9_9HEPC | A3EZI9 | Hepatitis C Virus NS3 Protease/helicase, 9hepc | 1600 | 0.45 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.