UCSF

ZINC63959829

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 20 No

Popular Name: 6-[(1-ethyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(1-ethyl-4,5-dihydroimidazol-…

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) 0.31 5.11 -44.36 2 7 1 81 293.376 4 ↓
Hi High (pH 8-9.5) 0.77 1.67 -44.72 0 7 -1 82 291.36 4 ↓
Mid Mid (pH 6-8) 0.77 2.65 -48.18 1 7 0 84 292.368 4 ↓

Activity (Go SEA)

Rings

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

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