UCSF

ZINC01867028

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 16 No

Popular Name: Dibenzyl disulfide Dibenzyl disulfide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 150-60-7 , 882-33-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 4.53 1.68 -4.34 0 0 0 0 246.4 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 210-216?/18mm Alfa-Aesar
Boiling_Point 210-216°/18mm Alfa-Aesar
Boiling_Point 310? Alfa-Aesar
Boiling_Point 310° Alfa-Aesar
Melting_Point 58-62? Alfa-Aesar
Melting_Point 58-62° Alfa-Aesar
Melting_Point 67-72? Alfa-Aesar
Melting_Point 67-72° Alfa-Aesar
MP 72 TCI
UniProt Database Links APT1_ANTEL; APT2_ANTEL; APT3_ANTEL; TX287_BUNCN; TX292_BUNCN; TX311_BUNCN; TXAM2_ANTMC; TXBCV_BUNCI; TXC4_BUNCI ChEBI

Activity (Go SEA)

Clustered Target Annotations
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 0.69 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 12.4 0.69 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )