UCSF

ZINC39712880

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 14 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) 2.88 6.27 -117.03 4 2 2 33 200.37 7
Hi High (pH 8-9.5) 2.88 5.09 -36.56 3 2 1 29 199.362 7
Mid Mid (pH 6-8) 2.88 4.91 -35.73 3 2 1 29 199.362 7

Vendor Notes

Note Type Comments Provided By
MP 52-53° Oakwood Chemical
Purity 99% Fluorochem

Activity (Go SEA)

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