| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 27 | Yes |
Popular Name: (4-amino-2-anilino-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (4-amino-2-anilino-thiazol-5-yl)…
| 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) | 3.92 | 7.26 | -12.18 | 3 | 7 | 0 | 96 | 385.445 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80136-5-O | FM3A (Breast Carcinoma Cells) (cluster #5 Of 6), Other | Other | 23 | 0.40 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 18 | 0.40 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 9 | 0.42 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 14 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 9.4 | 0.42 | Functional ≤ 10μM |
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 23 | 0.40 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 14 | 0.41 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 18 | 0.40 | Functional ≤ 10μM |
