UCSF

ZINC35941545

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 22 Yes

Popular Name: tetrodotoxin tetrodotoxin

Find On: PubMed — Wikipedia — Google

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) -4.42 -13.96 -32.03 10 11 1 192 320.278 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CM31_CONLT; CM3A_CONCT; CM3B_CONCN; H3A01_HAPHA; H3A02_HAPHA; H3A03_HAPHA; H3A04_HAPHA; H3A05_HAPHA; H3A06_HAPHA; H3A07_HAPHA; H3A08_HAPHA; H3A09_HAPHA; H3A10_HAPHA; H3A11_HAPHA; H3A12_HAPHA; H3B01_HAPHA; H3B02_HAPHA; H3B03_HAPHA; H3B04_HAPHA; H3B05_HAPHA ChEBI
Patent Database Links EP1563839; EP1645277; EP1649857; EP1690541; EP1702627; EP1714655; EP1785427; EP1844781; EP1930027; US2007237779; US2007243225; WO2007096170; WO2007110221 ChEBI
PUBCHEM_PATENT_ID US3966934; US4022899; US4029793; US6030974; WO1998043619A2 IBM Patent Data

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

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