UCSF

ZINC33978628

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 14 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) -1.65 3.82 -32.94 2 4 0 57 198.266 2
Mid Mid (pH 6-8) -1.65 5.16 -78.19 3 4 1 61 199.274 2
Mid Mid (pH 6-8) -1.65 3.03 -72.57 2 4 0 60 198.266 2

Vendor Notes

Note Type Comments Provided By
MP 197 - 199 Enamine Building Blocks
MP 197...199 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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