UCSF

ZINC90556717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2013 16 Yes

Other Names:

MFCD18375289

ST-0262

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) 0.60 -0.34 -92.08 0 7 -2 101 237.244 3
Lo Low (pH 4.5-6) 0.60 -0.5 -44.39 1 7 -1 99 238.252 3
Lo Low (pH 4.5-6) 0.60 -0.41 -17.56 2 7 0 101 239.26 3

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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

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