UCSF

ZINC53493925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 19 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) 1.38 5.62 -88.6 3 4 2 34 271.449 7
Hi High (pH 8-9.5) 1.38 1.7 -2.78 1 4 0 28 269.433 7
Hi High (pH 8-9.5) 1.38 3.87 -29.27 2 4 1 29 270.441 7
Hi High (pH 8-9.5) 1.38 3.45 -34.89 2 4 1 32 270.441 7

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

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