UCSF

ZINC01646212

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: Isoquinoline-3-carbaldehyde Isoquinoline-3-carbaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5470-80-4 , [5470-80-4]

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) 2.30 0.79 -7.31 0 2 0 30 157.172 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0328089A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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