UCSF

ZINC36641642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 5.22 12.02 -48.68 1 7 1 65 480.61 9
Hi High (pH 8-9.5) 5.22 9.57 -20.45 0 7 0 64 479.602 9

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

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