UCSF

ZINC55119622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 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) 2.96 8.51 -44.29 3 6 1 66 387.548 6
Hi High (pH 8-9.5) 2.96 6.56 -9.94 2 6 0 65 386.54 6

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

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