UCSF

ZINC04501410

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 9 No

Popular Name: Mesaconic acid Mesaconic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 498-23-7 , 498-24-8 , [498-24-8]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) -0.13 1.99 -100.65 0 4 -2 80 128.083 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 204 TCI
Patent Database Links EP1767184; US2004023888; US2005249784 ChEBI
UniProt Database Links GLME_CLOCO; GLME_CLOTT; MAAL_CLOTT; MAMA1_HALMA; MAMA2_HALMA; MAMA_CARHZ; MAMA_CLOCO; MAMA_CLOTE; MAMA_CLOTT; MAMA_DESHY; MAMA_ECO57; MAMA_FUSNN; MAMA_HALSA; MAMA_SHIDS; MAMA_TREDE; MAMA_YERE8; MGM_EUBBA ChEBI

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