UCSF

ZINC62522754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 15 Yes

Other Names:

MFCD13193487

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) 0.98 3.49 -44.39 3 4 1 49 203.269 1
Hi High (pH 8-9.5) 0.52 3.09 -8.89 1 5 0 69 277.32 2
Hi High (pH 8-9.5) 0.98 2.19 -4.58 2 4 0 44 202.261 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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