UCSF

ZINC06068590

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 7 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) 0.61 2.09 -7.11 1 3 0 42 161.99 0
Ref Reference (pH 7) 0.61 2.11 -4.64 1 3 0 42 161.99 0
Hi High (pH 8-9.5) 0.61 1.96 -35.24 0 3 -1 40 160.982 0
Hi High (pH 8-9.5) 0.61 1.96 -35.23 0 3 -1 40 160.982 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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