UCSF

ZINC63731729

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 31 No

Popular Name: 2-[[(6S)-5-(4-ethoxyphenyl)-4-imino-3-methyl-6H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-(2-furylme 2-[[(6S)-5-(4-ethoxyphenyl)-4-im…

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) 1.84 4.34 -12.23 2 9 0 117 438.513 8 ↓
Lo Low (pH 4.5-6) 1.84 4.27 -43.21 3 9 1 118 439.521 8 ↓

Activity (Go SEA)

Rings

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

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