UCSF

ZINC69517537

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.81 8.75 -6.45 1 6 0 56 380.492 5
Lo Low (pH 4.5-6) 2.81 9.12 -33.37 2 6 0 57 381.5 5

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

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