UCSF

ZINC69921322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 2.46 5.81 -41.42 1 5 1 56 261.349 7
Lo Low (pH 4.5-6) 2.46 6.49 -85.92 2 5 2 57 262.357 7

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

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