UCSF

ZINC13657679

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 17 Yes

Popular Name: 5-(benzyloxy)-2-(hydroxymethyl)-4-pyridinol 5-(benzyloxy)-2-(hydroxymethyl)-…

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CAS Numbers: 165948-37-8 , [165948-37-8]

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) 0.88 3.68 -25.53 2 4 0 62 231.251 4 ↓
Hi High (pH 8-9.5) 0.77 3.12 -53.89 0 4 -1 62 230.243 4 ↓
Lo Low (pH 4.5-6) 0.88 2.3 -11.15 3 4 0 65 232.259 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 228-230° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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