| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | No |
Popular Name: Methyl 2-{[2-(methoxycarbonyl)phenyl]disulfanyl}benzoate Methyl 2-{[2-(methoxycarbonyl)ph…
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CAS Number: 5459-63-2
Dimethyl-2,2'-dithiosalicylate
methyl 2-{[2-(methoxycarbonyl)phenyl]disulfanyl}benzenecarboxylate
| 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) | 3.97 | 3.68 | -12.8 | 0 | 4 | 0 | 52 | 334.418 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 19 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 18.6 | 0.49 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.