UCSF

ZINC69700275

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 20 Yes

Popular Name: 7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-(6,7-dihydro-5H-cyclopenta[d]p…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.66 8.87 -12.65 0 6 0 60 270.34 2 ↓
Mid Mid (pH 6-8) 0.66 9.31 -40.2 1 6 1 61 271.348 2 ↓

Activity (Go SEA)

Rings

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

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