UCSF

ZINC16431596

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 11 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) 0.09 -1.36 -9.49 1 4 0 51 150.137 0
Lo Low (pH 4.5-6) 0.09 -0.51 -37.92 2 4 1 52 151.145 0

Vendor Notes

Note Type Comments Provided By
MP 254 - 256 Enamine Building Blocks
MP 254...256 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% )

No pre-computed analogs available. Try a structural similarity search.