UCSF

ZINC19518104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 13 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) 0.72 3.82 -88.58 4 3 2 43 179.267 2
Mid Mid (pH 6-8) 0.72 3.36 -45.71 3 3 1 42 178.259 2

Vendor Notes

Note Type Comments Provided By
MP 218 - 220 Enamine Building Blocks
MP 218...220 Enamine Building Blocks
MP 324 - 326 Enamine Building Blocks
MP 324...326 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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