UCSF

ZINC01386041

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 No

Popular Name: 2-{2-[(4-chlorophenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione 2-{2-[(4-chlorophenyl)sulfanyl]e…

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CAS Number: 92853-70-8

Other Names:

MFCD00215612

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) 4.26 0.32 -8.58 0 3 0 39 317.797 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 94 - 98 KeyOrganics

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Rings

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

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