UCSF

ZINC76945678

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 22 No

Popular Name: ANB NOS ANB NOS

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CAS Number: 60117-35-3

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) 2.27 5.79 -25.45 0 11 0 159 305.206 5 ↓

Vendor Notes

Note Type Comments Provided By
Notes Photoreactive -Primary amine reactive -Photolysis 320-350nmRef: Schafer,H.Chemical Modification of Enzymes, Ed.Eyzaguirre,J. (1987) p.45-62. Apollo Scientific Bioactives

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

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