| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 9 | No |
Popular Name: Methyl phenyl disulfide Methyl phenyl disulfide
Find On: PubMed — Wikipedia — Google
CAS Number: 14173-25-2
| 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) | 2.87 | 1.43 | -3.33 | 0 | 0 | 0 | 0 | 156.275 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0012110A1; EP0320571A2; EP0328728A1; US3931166; US3931245; US3931246; US3943260; US3952024; US3952026; US3968264; US3989713; US4020144; US4020149; US4085109; US4115482; US4126618; US4138410; US4200660; US4292232; US4303689; US4886933 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 8 | 1.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 7.9 | 1.26 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.