UCSF

ZINC04293958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 10 Yes

Popular Name: 3-Chloro-5-methanesulfonyl-1H-[1,2,4]triazole 3-Chloro-5-methanesulfonyl-1H-[1…

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CAS Numbers: 346631-06-9 , [346640-52-6] , [346644-26-6]

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) 0.18 -1.55 -40.46 0 5 -1 74 180.596 1 ↓
Ref Reference (pH 7) 0.18 -1.55 -40.49 0 5 -1 74 180.596 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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