UCSF

ZINC61321277

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 21 Yes

Popular Name: 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]-3H-quinazolin-4-one 2-[[(5-methylpyrazin-2-yl)methyl…

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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) 0.80 2.51 -14.15 2 6 0 84 281.319 4 ↓
Mid Mid (pH 6-8) 0.80 3.87 -57.77 3 6 1 88 282.327 4 ↓

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

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