UCSF

ZINC19995629

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 No

Popular Name: (5E)-1-(o-tolyl)-5-[[2-(1-piperidyl)ethylamino]methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(o-tolyl)-5-[[2-(1-piperi…

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) 1.36 7.96 -51.19 3 7 1 88 357.434 5 ↓
Ref Reference (pH 7) 1.36 7.96 -51.78 3 7 1 88 357.434 5 ↓
Hi High (pH 8-9.5) 1.36 5.74 -10.84 2 7 0 87 356.426 5 ↓
Hi High (pH 8-9.5) 1.36 5.74 -10.92 2 7 0 87 356.426 5 ↓

Activity (Go SEA)

Rings

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

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