UCSF

ZINC19452672

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 Yes

Popular Name: [4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-1-piperidyl]-(5-isopropylisoxazol-3-yl)methanone [4-[3-(tert-butylamino)imidazo[1…

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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) 3.24 9 -14.6 1 8 0 89 410.522 5 ↓
Lo Low (pH 4.5-6) 3.24 9.9 -111.85 3 8 2 94 412.538 5 ↓
Lo Low (pH 4.5-6) 3.24 9.42 -33.93 2 8 1 90 411.53 5 ↓

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

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