UCSF

ZINC67240857

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 34 No

Popular Name: [3-[[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]amino]-4-methyl-phenyl]-[4-(2 [3-[[(3aR,6aR)-5,5-dioxo-3a,4,6,…

Find On: PubMed — Wikipedia — Google

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) 3.06 9.37 -22.75 1 7 0 82 498.674 3 ↓
Mid Mid (pH 6-8) 3.06 9.2 -53.49 2 7 1 83 499.682 3 ↓
Lo Low (pH 4.5-6) 3.06 9.53 -95.27 3 7 2 85 500.69 4 ↓

Activity (Go SEA)

Rings

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

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