UCSF

ZINC38581263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 25 No

Popular Name: (4S,7aS)-3-methyl-1-[(5S)-5H-purin-6-yl]-4-(2-thienyl)-2,4,5,7a-tetrahydropyrazolo[3,4-b]pyridin-6-o (4S,7aS)-3-methyl-1-[(5S)-5H-pur…

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) 0.87 5.84 -12.34 2 8 0 94 353.411 2 ↓

Activity (Go SEA)

Rings

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

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