UCSF

ZINC57990474

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 23 No

Popular Name: 3-[3-(azepan-1-yl)propylamino]-4-phenyl-cyclobut-3-ene-1,2-dione 3-[3-(azepan-1-yl)propylamino]-4…

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) 2.23 8.75 -47.37 1 4 0 51 313.421 5 ↓
Mid Mid (pH 6-8) 2.23 8.73 -59.44 1 4 0 51 313.421 5 ↓

Activity (Go SEA)

Rings

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

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