UCSF

ZINC62152108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 18 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) 1.74 6.27 -47.22 2 4 1 46 249.334 3
Mid Mid (pH 6-8) 1.74 4.92 -6.23 1 4 0 42 248.326 3

Vendor Notes

Note Type Comments Provided By
MP 146 - 148 Enamine Building Blocks
MP 146...148 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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