UCSF

ZINC69134595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 Yes

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) 0.16 3.09 -40.67 2 6 1 67 294.404 2
Hi High (pH 8-9.5) 0.16 1.74 -15.02 1 6 0 63 293.396 2
Lo Low (pH 4.5-6) 0.16 3.49 -81.85 3 6 2 68 295.412 2

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

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