UCSF

ZINC39132641

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 8 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) 0.12 1.83 -8.07 1 3 0 38 112.132 2
Mid Mid (pH 6-8) 0.12 1.84 -6.89 1 3 0 38 112.132 2
Mid Mid (pH 6-8) 0.12 2.34 -32.32 2 3 1 39 113.14 2
Mid Mid (pH 6-8) 0.12 2.3 -32.34 2 3 1 39 113.14 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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