UCSF

ZINC00967187

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 9 No

Popular Name: 5-Amino-3-thioxo-3H-1,2-dithiole-4-carbonitrile 5-Amino-3-thioxo-3H-1,2-dithiole…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5147-74-0 , [5147-74-0]

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) 0.89 4.19 -16.97 2 2 0 50 174.275 0 ↓

Vendor Notes

Note Type Comments Provided By
MP >360° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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