UCSF

ZINC40448353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) -0.29 -0.18 -7.06 4 5 0 83 123.119 0
Ref Reference (pH 7) -0.29 -0.23 -10.19 4 5 0 83 123.119 0
Mid Mid (pH 6-8) -0.29 -0.24 -19.09 4 5 0 83 123.119 0
Lo Low (pH 4.5-6) -0.29 -0.02 -32.8 5 5 1 85 124.127 0
Lo Low (pH 4.5-6) -0.29 -0.08 -31.54 5 5 1 85 124.127 0

Vendor Notes

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

Activity (Go SEA)

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

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