| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 20 | No |
Popular Name: 2,2'-Dithiodibenzoic acid 2,2'-Dithiodibenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119-80-2 , 21192-71-2
"2,2'-Dithiosalicylic acid, 95%"
2,2'-disulfanediyldibenzoic acid
2,2'-Disulphanediyldibenzoic acid
2,2'-Dithiodibenzoic acid disodium salt
2,2'-Dithiosalicylic acid, 96%
2,2'-Dithiosalicylic acid, 98%
2,2_quote_-Dithiosalicylic acid
| 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) | 3.45 | 10.77 | -106.31 | 0 | 4 | -2 | 80 | 304.348 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 287 - 290 | Acros Organics |
| Melting_Point | 287-289? | Alfa-Aesar |
| Melting_Point | 287-289° | Alfa-Aesar |
| MP | 287...290 | Enamine Building Blocks |
| MP | 288-293° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Purity | 90% | Fluorochem |
| purity | 95 | Enamine Building Blocks |
| Purity | 95%(HPLC) | APIChem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 118 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 117.7 | 0.49 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.