UCSF

ZINC00241387

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: quinoline-5-carbaldehyde quinoline-5-carbaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22934-31-4 , 22934-41-4 , [22934-41-4]

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) 1.99 4.51 -8.76 0 2 0 30 157.172 1 ↓
Lo Low (pH 4.5-6) 1.99 4.79 -38.52 1 2 1 31 158.18 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 94-98? Alfa-Aesar
Melting_Point 94-98° Alfa-Aesar
purity 95 Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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