| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | No |
Popular Name: (4-tert-butylphenyl)thiourea (4-tert-butylphenyl)thiourea
Find On: PubMed — Wikipedia — Google
CAS Number: 65259-90-7
| 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) | 2.68 | -1.74 | -11.87 | 3 | 2 | 0 | 38 | 208.33 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 153 - 155 | Enamine Building Blocks |
| MP | 153...155 | Enamine Building Blocks |
| melting_point | 154 - 156 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035-2-O | B16 (Melanoma Cells) (cluster #2 Of 7), Other | Other | 3700 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035 | Z80035 | B16 (Melanoma Cells) | 3700 | 0.54 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.