UCSF

ZINC23093905

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 12 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) -0.44 1.2 -40.86 3 3 1 44 166.248 3
Hi High (pH 8-9.5) -0.44 0.97 -3.14 2 3 0 42 165.24 3
Mid Mid (pH 6-8) -0.44 2.91 -27.63 3 3 1 43 166.248 3
Mid Mid (pH 6-8) -0.44 3.46 -108.57 4 3 2 45 167.256 3

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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