UCSF

ZINC03869787

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 13 Yes

Popular Name: Gluconic acid Gluconic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22830-45-1 , 23835-15-6 , 299-28-5 , 4468-02-4 , 526-95-4 , 526-97-6 , 6485-39-8 , [4468-02-4]

Download: MOL2 SDF SMILES Flexibase

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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) -3.22 -9.67 -50.18 5 7 -1 141 195.147 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.59e+02 g/l DrugBank-experimental
Melting_Point ca 140? Alfa-Aesar
Melting_Point ca 140° Alfa-Aesar
UniProt Database Links CRYL1_BOVIN; CRYL1_HUMAN; CRYL1_MOUSE; CRYL1_PIG; CRYL1_PONAB; CRYL1_RABIT; CRYL1_RAT; GHRB_ECOLI; LYXK_ECOLI; SGBE_ECOLI; SGBH_ECOLI; SGBH_HAEIN; SGBU_ECOLI; SNDH_GLULI; TKRA_DICDI; ULAD_ECO24; ULAD_ECO27; ULAD_ECO45; ULAD_ECO55; ULAD_ECO57; ULAD_ECO5E ChEBI
Patent Database Links US2003097029 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.