UCSF

ZINC39764180

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 24 No

Popular Name: 3-[(6S)-5-oxo-3-thioxo-6H-1,2,4-triazin-6-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide 3-[(6S)-5-oxo-3-thioxo-6H-1,2,4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.49 3.49 -13.58 2 6 0 83 358.345 6 ↓
Mid Mid (pH 6-8) 1.67 1.57 -41.96 1 6 -1 89 357.337 6 ↓

Activity (Go SEA)

Rings

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

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