UCSF

ZINC39712805

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 11 Yes

Other Names:

MFCD07782223

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) 1.34 4.61 -111.19 4 2 2 33 158.289 7
Mid Mid (pH 6-8) 1.34 3.26 -33.53 3 2 1 29 157.281 7
Mid Mid (pH 6-8) 1.34 3.32 -37.08 3 2 1 29 157.281 7

Vendor Notes

Note Type Comments Provided By
Purity 92% Fluorochem

Activity (Go SEA)

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