UCSF

ZINC35500130

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 23 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) 5.23 9.96 -8.65 1 3 0 38 332.513 8
Lo Low (pH 4.5-6) 5.23 10.45 -26.91 2 3 1 39 333.521 8

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

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