UCSF

ZINC49391065

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 16 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) 2.67 0.78 -45.34 1 3 -1 56 270.742 1
Hi High (pH 8-9.5) 2.67 1.55 -85.36 0 3 -2 59 269.734 1

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

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