UCSF

ZINC28221719

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 10 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) 0.76 0.46 -48.07 4 2 1 48 144.238 2
Hi High (pH 8-9.5) 0.76 0.08 -3.52 3 2 0 46 143.23 2

Vendor Notes

Note Type Comments Provided By
MP 85 - 87 Enamine Building Blocks
MP 85...87 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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