UCSF

ZINC36130583

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 Yes

Popular Name: N-(3,5-dimethoxyphenyl)-3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]propanamide N-(3,5-dimethoxyphenyl)-3-[(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) -2.33 2.39 -39.92 3 8 1 100 374.417 7 ↓
Hi High (pH 8-9.5) -1.70 0.44 -25.47 2 8 0 106 373.409 6 ↓
Mid Mid (pH 6-8) -1.70 0.72 -107.19 4 8 2 105 375.425 6 ↓

Activity (Go SEA)

Rings

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

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