| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 18 | No |
Popular Name: 2,2'-Dithiobis(5-chloro)benzenamine 2,2'-Dithiobis(5-chloro)benzenamine
Find On: PubMed — Wikipedia — Google
CAS Number: 29124-55-8
2-(2-amino-4-chloro-phenyl)disulfanyl-5-chloro-aniline
6,6'-Disulfanediylbis(3-chloroaniline)
| 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) | 4.58 | -2.59 | -3.55 | 4 | 2 | 0 | 52 | 317.266 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 12 | 0.62 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 12.1 | 0.62 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.