UCSF

ZINC13284453

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 12 Yes

Popular Name: Isoquinoline-4-carbonitrile Isoquinoline-4-carbonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34846-65-6 , [34846-65-6]

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) 1.79 5.31 -7.41 0 2 0 37 154.172 0 ↓
Lo Low (pH 4.5-6) 1.79 5.55 -43.28 1 2 1 38 155.18 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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