| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2004 | 19 | No |
Popular Name: (4R)-4-(3-hydroxyphenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one (4R)-4-(3-hydroxyphenyl)-2-thiox…
| 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) | 1.87 | 4.56 | -18.83 | 3 | 4 | 0 | 61 | 274.345 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11-1-E | Kinesin-like Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.42 | Functional ≤ 10μM |
| Z80186-4-O | K562 (Erythroleukemia Cells) (cluster #4 Of 11), Other | Other | 4775 | 0.39 | Functional ≤ 10μM |
| Z80877-2-O | NCI-H1299 (Non-small Cell Lung Carcinoma) (cluster #2 Of 2), Other | Other | 4898 | 0.39 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 1811 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 1811 | 0.42 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 4775 | 0.39 | Functional ≤ 10μM |
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 2000 | 0.42 | Functional ≤ 10μM |
| Z80877 | Z80877 | NCI-H1299 (Non-small Cell Lung Carcinoma) | 4898 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Kinesins | |
| MHC class II antigen presentation |
