UCSF

ZINC05204774

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 6 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 2.6 -7.49 1 3 0 42 194.963 0
Hi High (pH 8-9.5) 0.80 2.43 -33.37 0 3 -1 40 193.955 0
Mid Mid (pH 6-8) 0.80 2.45 -33.42 0 3 -1 40 193.955 0

Vendor Notes

Note Type Comments Provided By
MP 196 - 198 Enamine Building Blocks
MP 196...198 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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