UCSF

ZINC00038638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 5-(hydroxymethyl)quinolin-8-ol 5-(hydroxymethyl)quinolin-8-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4053-44-5 , [4053-44-5]

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) 1.27 -0.47 -10.26 2 3 0 53 175.187 1 ↓
Hi High (pH 8-9.5) 1.27 0.29 -55.51 1 3 -1 56 174.179 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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