UCSF

ZINC42384282

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 11 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) -1.26 6.88 -11.37 3 7 0 98 151.133 1
Ref Reference (pH 7) -1.26 6.85 -32.49 2 7 -1 97 150.125 1
Mid Mid (pH 6-8) -1.26 6.89 -10.37 3 7 0 98 151.133 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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