UCSF

ZINC19803723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 13 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) 0.13 0.09 -41.13 3 4 1 49 186.279 4
Hi High (pH 8-9.5) 0.13 -1.37 -9.47 2 4 0 44 185.271 4

Vendor Notes

Note Type Comments Provided By
MP 31 - 32 Enamine Building Blocks
MP 31...32 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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