UCSF

ZINC23093947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 9 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) 0.80 1.45 -32.56 2 2 1 20 129.227 0
Hi High (pH 8-9.5) 0.80 0.23 -1.03 1 2 0 15 128.219 0
Mid Mid (pH 6-8) 0.80 3.49 -101.58 3 2 2 21 130.235 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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