UCSF

ZINC02584423

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 No

Popular Name: EMCS EMCS

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CAS Number: 55750-63-5

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) 0.25 7.81 -24.38 0 8 0 103 308.29 8 ↓

Vendor Notes

Note Type Comments Provided By
Notes Primary amine reactive -Sulphhydryl reactiveRef: Partis, M.D et al(1983) J.Protein Chem.2, 263Ref: Kitagawa, T.et al(1981) Chem.Pharm.Bull.29, 1130 Apollo Scientific Bioactives

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

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