UCSF

ZINC36118595

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 30 Yes

Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-(3-ethylphenyl)benzamide 4-[[(3,4-dioxo-2-pyrrolidin-1-yl…

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) 0.36 4.9 -41.89 3 6 1 85 404.49 5 ↓
Hi High (pH 8-9.5) 3.95 7.29 -13.94 2 6 0 82 403.482 6 ↓
Mid Mid (pH 6-8) 0.36 5.69 -25.48 2 6 0 88 403.482 5 ↓
Mid Mid (pH 6-8) 0.37 6.55 -111.24 4 6 2 87 405.498 5 ↓
Mid Mid (pH 6-8) 0.36 6.28 -22.95 2 6 0 88 403.482 5 ↓

Activity (Go SEA)

Rings

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

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