UCSF

ZINC00388303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: Isoquinoline-1-carboxylic acid Isoquinoline-1-carboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 41034-52-0 , 486-73-7 , 611-36-9 , 879-65-2 , [486-73-7]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.86 4.44 -57.63 0 3 -1 53 172.163 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 147 - 149 Enamine Building Blocks
MP 153-157° Fluorochem
MP 164 - 166 Enamine Building Blocks
MP 164...166 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity 99% APIChem
Melting_Point ca 165? dec. Alfa-Aesar
Melting_Point ca 165° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

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