UCSF

ZINC13281705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 15 Yes

Popular Name: Acetic acid, 2-(imidazo[1,5-a]pyrazin-3-ylthio)-, methyl ester Acetic acid, 2-(imidazo[1,5-a]py…

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CAS Number: 56488-19-8

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) 0.98 5.29 -9.36 0 5 0 57 223.257 4 ↓
Mid Mid (pH 6-8) 0.98 5.74 -39.69 1 5 1 58 224.265 4 ↓

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

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