| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 16 | No |
Popular Name: 2-[(N'E)-N'-[(3-chlorophenyl)methylene]hydrazino]thiazol-4-one 2-[(N'E)-N'-[(3-chlorophenyl)met…
| 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) | 2.34 | 4.62 | -18.06 | 1 | 4 | 0 | 54 | 253.714 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 5.72 | -34.18 | 2 | 4 | 1 | 55 | 254.722 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-12-O | MCF7 (Breast Carcinoma Cells) (cluster #12 Of 14), Other | Other | 4310 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 4310 | 0.47 | Functional ≤ 10μM |
