UCSF

ZINC01601222

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: 2-methylisoquinoline-1,3(2H,4H)-dione 2-methylisoquinoline-1,3(2H,4H)-…

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CAS Numbers: 4494-53-5 , [4494-53-5]

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) 0.22 4.43 -8.89 0 3 0 37 175.187 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 124 - 126 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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