| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2006 | 23 | No |
Popular Name: hydrazinecarbothioamide, 2-[(2-hydroxy-1-naphthalenyl)methylene]-N-phenyl- hydrazinecarbothioamide, 2-[(2-h…
| 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) | 4.42 | 8.52 | -12.01 | 3 | 4 | 0 | 57 | 321.405 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 3300 | 0.33 | Functional ≤ 10μM |
| Z80491-3-O | SK-N-MC (Neuroepithelioma Cells) (cluster #3 Of 4), Other | Other | 500 | 0.38 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 2000 | 0.35 | Functional ≤ 10μM |
| Z81331-6-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #6 Of 6), Other | Other | 300 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2000 | 0.35 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 3300 | 0.33 | Functional ≤ 10μM |
| Z80491 | Z80491 | SK-N-MC (Neuroepithelioma Cells) | 500 | 0.38 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 300 | 0.40 | Functional ≤ 10μM |
