UCSF

ZINC52444360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 16 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) 1.45 6.72 -87.37 3 3 2 34 241.404 7
Hi High (pH 8-9.5) 1.45 5.43 -32.89 2 3 1 29 240.396 7
Hi High (pH 8-9.5) 1.45 4.38 -35.54 2 3 1 33 240.396 7
Hi High (pH 8-9.5) 1.45 3.08 -3.34 1 3 0 28 239.388 7

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

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