UCSF

ZINC57734956

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 23 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) 3.83 7.2 -54.35 0 7 -1 107 368.803 4
Lo Low (pH 4.5-6) 4.75 7.51 -17.41 1 7 0 108 369.811 3

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

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