UCSF

ZINC01641089

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Popular Name: Diphenyl disulfide Diphenyl disulfide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2550-40-5 , 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) 4.40 10.03 -4.17 0 0 0 0 218.346 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 191 - 192 (p=15 torr) Acros Organics
Boiling_Point 310? Alfa-Aesar
Boiling_Point 310° Alfa-Aesar
Boiling_Point 331? Alfa-Aesar
Boiling_Point 331° Alfa-Aesar
Mp [°C] 58 - 61 Acros Organics
MP 58-60° Fluorochem
Melting_Point 58-62? Alfa-Aesar
Melting_Point 58-62° Alfa-Aesar
MP 61 TCI
Purity 98% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H410: Very toxic to aquatic life with long lasting effects Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P304 + P340: IF INHALED: Remove to fresh air Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-21-O Plasmodium Falciparum (cluster #21 Of 22), Other Other 6700 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 5000 0.53 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.