UCSF

ZINC53651729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 3.48 9.26 -110.75 3 2 2 21 240.435 5
Hi High (pH 8-9.5) 3.48 7.3 -33.2 2 2 1 20 239.427 5
Hi High (pH 8-9.5) 3.48 8.09 -28.33 2 2 1 16 239.427 5

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

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