UCSF

ZINC42750018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.16 3.35 -39 2 3 1 43 154.58 0
Mid Mid (pH 6-8) 1.16 2.39 -31.03 0 3 -1 40 152.564 0
Mid Mid (pH 6-8) 1.16 2.87 -10.01 1 3 0 42 153.572 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.