| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2007 | 19 | Yes |
Popular Name: 2-styrylquinazolin-4-ol 2-styrylquinazolin-4-ol
| 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) | 3.47 | 7.82 | -9.66 | 1 | 3 | 0 | 46 | 248.285 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 6.74 | -46.16 | 0 | 3 | -1 | 49 | 247.277 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A-2-E | Tubulin Alpha-3 Chain (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5000 | 0.39 | Binding ≤ 10μM |
| Z80491-1-O | SK-N-MC (Neuroepithelioma Cells) (cluster #1 Of 4), Other | Other | 1390 | 0.43 | Functional ≤ 10μM |
| Z80928-6-O | HCT-116 (Colon Carcinoma Cells) (cluster #6 Of 9), Other | Other | 2530 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A_PIG | P02550 | Tubulin Alpha Chain, Pig | 5000 | 0.39 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 2530 | 0.41 | Functional ≤ 10μM |
| Z80491 | Z80491 | SK-N-MC (Neuroepithelioma Cells) | 1390 | 0.43 | Functional ≤ 10μM |
