UCSF

ZINC21953164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 0.50 1.09 -36.83 2 2 1 20 117.216 4
Hi High (pH 8-9.5) 0.50 1.91 -30.66 2 2 1 16 117.216 4
Hi High (pH 8-9.5) 0.50 -0.42 -1.21 1 2 0 15 116.208 4
Mid Mid (pH 6-8) 0.50 3.48 -103.91 3 2 2 21 118.224 4

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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