UCSF

ZINC08698276

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 6 Yes

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) 1.46 2.83 -1.36 0 1 0 24 155.929 0

Vendor Notes

Note Type Comments Provided By
BP 3-5° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings GAS, TOXIC BY INHALATION Matrix Scientific
Warnings Toxic by inhalation/Nonflammable Gas Matrix Scientific
Warnings Toxic by inhalation/Nonflammable Gas/Store in Freezer Matrix Scientific

Activity (Go SEA)

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

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