UCSF

ZINC71514113

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 19 No

Popular Name: 4-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)butanoic 4-(6-ethyl-4-oxo-2-thioxo-1H-thi…

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) 1.38 8.32 -55.95 1 5 -1 78 297.381 5 ↓
Hi High (pH 8-9.5) 1.84 7.04 -102.6 0 5 -2 81 296.373 5 ↓
Lo Low (pH 4.5-6) 1.38 6.34 -13.99 2 5 0 75 298.389 5 ↓

Activity (Go SEA)

Rings

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

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