UCSF

ZINC57729992

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 31 Yes

Popular Name: 4-[3-(tert-butylamino)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]-2-methoxy-phenol 4-[3-(tert-butylamino)-6-(4-meth…

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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) 4.31 7.86 -13.07 2 7 0 81 418.497 6 ↓
Mid Mid (pH 6-8) 4.31 8.05 -43.57 3 7 1 86 419.505 6 ↓
Lo Low (pH 4.5-6) 4.31 8.22 -33.07 3 7 1 82 419.505 6 ↓
Lo Low (pH 4.5-6) 4.31 8.43 -108.64 4 7 2 87 420.513 6 ↓

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

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