UCSF

ZINC65496914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: 1-ethyl-4-(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)piperazin-2-one 1-ethyl-4-(5-phenyl-6,7-dihydrop…

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) 2.79 10.73 -10.8 0 6 0 53 323.4 3 ↓
Lo Low (pH 4.5-6) 2.79 11.05 -32.05 1 6 1 54 324.408 3 ↓
Lo Low (pH 4.5-6) 2.79 11.06 -32.12 1 6 1 54 324.408 3 ↓

Activity (Go SEA)

Rings

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

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