UCSF

ZINC76945701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 26 No

CAS Number: 223572-55-2

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) -0.33 3.48 -52.26 0 11 -1 171 381.346 8

Vendor Notes

Note Type Comments Provided By
Notes Photoreactive -Primary amine reactive Water soluble Apollo Scientific Bioactives

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

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