UCSF

ZINC08666590

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2007 16 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) 2.66 6.19 -13.18 1 3 0 46 228.276 1
Hi High (pH 8-9.5) 3.12 4.08 -47.89 0 3 -1 49 227.268 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP >240° Fluorochem

Activity (Go SEA)

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