UCSF

ZINC54907475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) -0.25 2.63 -51.94 2 4 1 50 246.381 3
Hi High (pH 8-9.5) -0.25 1.18 -16.36 1 4 0 45 245.373 3

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

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