UCSF

ZINC79597570

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2012 17 No

Popular Name: Cythioate Cythioate

Find On: PubMed — Wikipedia — Google

CAS Number: 115-93-5

Other Names:

LS-108924

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) 1.72 2.66 -18.06 2 6 0 88 297.294 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0181525A2; EP0181525B1; EP0396224A2; EP0396224B1; EP0463454A2; EP0463454A3; EP0516590A1; EP0516590B1; EP0808568A1; EP1024788A1; EP1030657A1; EP1030850A2; US4781920; US5021424; US5194265; US5324521; US5332577; US5541079; US5576187; US5730996; US5849262 IBM Patent Data

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

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