UCSF

ZINC44121484

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.32 3.73 -18.17 1 2 0 37 177.228 1
Hi High (pH 8-9.5) 2.32 3.33 -41.29 0 2 -1 36 176.22 1
Mid Mid (pH 6-8) 2.32 2.57 -6.5 1 2 0 33 177.228 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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