UCSF

ZINC75629644

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2012 10 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) 2.19 2.94 -9.36 1 2 0 33 178.018 0
Hi High (pH 8-9.5) 2.65 0.91 -38.82 0 2 -1 36 177.01 0

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.