UCSF

ZINC54746354

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 18 No

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) -0.24 1.6 -71.84 2 7 1 94 274.37 6
Hi High (pH 8-9.5) -0.24 0.25 -18.73 1 7 0 90 273.362 6

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

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