UCSF

ZINC49525627

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 3.75 11.64 -34.94 1 5 1 57 332.42 7
Hi High (pH 8-9.5) 3.75 10.29 -8.01 0 5 0 56 331.412 7

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

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