UCSF

ZINC52508159

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 22 No

Popular Name: 8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-thia-4,8-diazaspiro[4.5]decan-3-one 8-[3-chloro-5-(trifluoromethyl)p…

Find On: PubMed — Wikipedia — Google

CAS Number: 1246738-29-3

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) 2.59 6.28 -6.47 1 4 0 45 351.781 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 2.060000000000000e+002 - 2.090000000000000e+002 KeyOrganics
melting_point 206 - 209 KeyOrganics
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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