| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 22 | Yes |
Popular Name: INH1 INH1
Find On: PubMed — Wikipedia — Google
CAS Numbers: 313553-47-8 , [313553-47-8]
Benzamide,N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-
N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]benzamidehydrochloride
| 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) | 4.38 | 0.89 | -9.42 | 1 | 3 | 0 | 41 | 308.406 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Microtubule Associated | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 8800 | 0.32 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 8600 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 8800 | 0.32 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 8600 | 0.32 | Functional ≤ 10μM |
