UCSF

ZINC37079477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.11 0.58 -41.84 3 2 1 31 129.227 4
Mid Mid (pH 6-8) -0.11 2.9 -105.45 4 2 2 32 130.235 4
Mid Mid (pH 6-8) -0.11 2.51 -28.08 3 2 1 30 129.227 4

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% )