UCSF

ZINC67225855

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 32 Yes

Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]aceta 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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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) 2.45 11.19 -63.36 2 8 1 85 467.497 6 ↓
Mid Mid (pH 6-8) 2.45 8.97 -26.91 1 8 0 83 466.489 6 ↓

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

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