UCSF

ZINC20282557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.73 3.13 -52.07 0 4 -1 56 197.239 2
Lo Low (pH 4.5-6) -0.73 3.58 -49.03 1 4 0 58 198.247 2

Vendor Notes

Note Type Comments Provided By
MP 179 - 181 Enamine Building Blocks
MP 179...181 Enamine Building Blocks
MP 218 - 220 Enamine Building Blocks
MP 218...220 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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