UCSF

ZINC55152774

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) 2.67 7.66 -39.85 1 6 1 59 352.462 5
Hi High (pH 8-9.5) 2.67 5.28 -9.61 0 6 0 58 351.454 5

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

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