UCSF

ZINC19407579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 12 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) -0.78 -1.93 -48.96 4 4 1 60 172.252 2
Mid Mid (pH 6-8) -0.78 -0.03 -38.77 4 4 1 60 172.252 2
Mid Mid (pH 6-8) -0.78 0.28 -106.76 5 4 2 61 173.26 2

Vendor Notes

Note Type Comments Provided By
MP 48 - 50 Enamine Building Blocks
MP 48...50 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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