UCSF

ZINC00408051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) -0.76 4.01 -43.59 0 4 -1 58 125.107 2
Mid Mid (pH 6-8) -0.76 4.52 -43.04 1 4 0 59 126.115 2

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.