UCSF

ZINC05178389

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 10 No

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) 2.05 5.28 -1.47 0 1 0 17 166.02 2

Vendor Notes

Note Type Comments Provided By
BP 27° Matrix Scientific
Purity 97% Matrix Scientific
Warnings GAS, TOXIC BY INHALATION, CORROSIVE Matrix Scientific
Warnings Toxic by inhalation/Corrosive/Nonflammable Gas Matrix Scientific

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

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