UCSF

ZINC64979066

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 22 Yes

Popular Name: N-[2-(azepan-1-yl)ethyl]-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide N-[2-(azepan-1-yl)ethyl]-5-oxo-t…

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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) 1.19 6.56 -39.69 2 6 1 68 321.426 4 ↓
Lo Low (pH 4.5-6) 1.19 7.05 -84.32 3 6 2 69 322.434 4 ↓

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

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