UCSF

ZINC54742001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 17 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) 0.77 5.09 -44.94 3 3 1 46 254.737 0
Hi High (pH 8-9.5) 0.77 4.85 -4.66 2 3 0 44 253.729 0

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

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