| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 11 | No |
Popular Name: 1-(4-Hydroxyphenyl)-2-thiourea 1-(4-Hydroxyphenyl)-2-thiourea
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1520-27-0 , [1520-27-0]
| 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) | 0.50 | 0.48 | -21.55 | 4 | 3 | 0 | 58 | 168.221 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 214° | Fluorochem |
| MP | 214° (dec) | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Melting_Point | ca 210? dec. | Alfa-Aesar |
| Melting_Point | ca 210° dec. | Alfa-Aesar |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035-2-O | B16 (Melanoma Cells) (cluster #2 Of 7), Other | Other | 6300 | 0.66 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80035 | Z80035 | B16 (Melanoma Cells) | 6300 | 0.66 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.