UCSF

ZINC66055242

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 11 Yes

Other Names:

MFCD11520596

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) 0.57 2.82 -8.19 1 3 0 46 150.181 1
Hi High (pH 8-9.5) 1.02 0.7 -47.25 0 3 -1 49 149.173 1

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.