UCSF

ZINC42105602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) -0.45 3.25 -7.01 2 3 0 46 190.246 1
Ref Reference (pH 7) -0.45 3.25 -5.61 2 3 0 46 190.246 1
Mid Mid (pH 6-8) -0.45 3.56 -43.69 3 3 1 48 191.254 1
Mid Mid (pH 6-8) -0.45 3.56 -43.81 3 3 1 48 191.254 1

Vendor Notes

Note Type Comments Provided By
MP 147 - 149 Enamine Building Blocks
MP 147...149 Enamine Building Blocks
MP 163 - 165 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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