UCSF

ZINC33721722

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 15 Yes

Popular Name: h-d-glu(otbu)-ome.hcl h-d-glu(otbu)-ome.hcl

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16948-36-0 , 6234-01-1 , [16948-36-0]

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) 0.32 3.61 -9.15 2 5 0 79 217.265 7 ↓
Mid Mid (pH 6-8) 0.32 3.95 -50.79 3 5 1 80 218.273 7 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP1024134A1 IBM Patent Data

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