UCSF

ZINC59110628

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 30 Yes

Popular Name: N-[2-(N-acetyl-4-cyano-anilino)-3,4-dioxo-cyclobuten-1-yl]-N-(2,2,3,3,3-pentafluoropropyl)acetamide N-[2-(N-acetyl-4-cyano-anilino)-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.97 6.98 -46.87 1 7 1 101 430.309 5 ↓
Mid Mid (pH 6-8) 1.72 8.24 -12.74 0 7 0 99 429.301 6 ↓

Activity (Go SEA)

Rings

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

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