UCSF

ZINC22130072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 9 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) 0.08 0.35 -40.94 3 2 1 31 129.227 0
Mid Mid (pH 6-8) 0.08 2.52 -29.73 3 2 1 30 129.227 0
Mid Mid (pH 6-8) 0.08 2.75 -103.47 4 2 2 32 130.235 0

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% )