UCSF

ZINC19735203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 10 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.96 0.15 -91.78 4 3 2 35 145.25 2
Mid Mid (pH 6-8) -0.96 -2.33 -44.26 3 3 1 34 144.242 2

Vendor Notes

Note Type Comments Provided By
BP 103°/11.25mm Oakwood Chemical
BP 80-83°/11 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings AIR SENSITIVE, CORROSIVE Matrix Scientific
Warnings Corrosive/Air Sensitive Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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