UCSF

ZINC57917477

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 1.86 3.29 -16.66 1 6 0 54 371.428 9
Lo Low (pH 4.5-6) 1.86 5.43 -44.54 2 6 1 55 372.436 9

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

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