UCSF

ZINC36466575

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 12 No

Popular Name: 2-methyl-3-thioxo-isoindolin-1-one 2-methyl-3-thioxo-isoindolin-1-one

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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) 1.55 5.54 -9.18 0 2 0 22 177.228 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4299839; US4390547; US4532258 IBM Patent Data

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