UCSF

ZINC36118564

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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) 0.30 5.28 -37.59 3 6 1 85 404.49 4 ↓
Hi High (pH 8-9.5) 0.30 6.06 -23.57 2 6 0 88 403.482 4 ↓
Hi High (pH 8-9.5) 3.89 7.08 -14.51 2 6 0 82 403.482 5 ↓
Mid Mid (pH 6-8) 0.30 6.34 -111.53 4 6 2 87 405.498 4 ↓

Activity (Go SEA)

Rings

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

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