UCSF

ZINC04098527

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 19 Yes

Popular Name: Gentisin Gentisin

Find On: PubMed — Wikipedia — Google

CAS Number: 437-50-3

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) 2.81 -1.52 -11.37 2 5 0 79 258.229 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0126991A1; EP0496349B1; EP0525360A2; EP0525360B1; EP0530036B1; EP0580460A1; EP0580460B1; EP0780122A1; EP0895808A2; US3985783; US4219579; US4539230; US5241022; US5314740; US5837254; US6005126; US6090389 IBM Patent Data

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