| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 13 | No |
Popular Name: Triapine Triapine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 143621-35-6 , 236392-56-6 , [143621-35-6] , [236392-56-6]
(E)-2-((3-aminopyridin-2-yl)methylene)hydrazinecarbothioamide
2-((3-Aminopyridin-2-yl)methylene)hydrazinecarbothioamide
| 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) | 0.53 | 0.54 | -16.87 | 5 | 5 | 0 | 89 | 195.251 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | DNA/RNA Synthesis | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80491-3-O | SK-N-MC (Neuroepithelioma Cells) (cluster #3 Of 4), Other | Other | 540 | 0.67 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80491 | Z80491 | SK-N-MC (Neuroepithelioma Cells) | 260 | 0.71 | Functional ≤ 10μM |
