UCSF

ZINC69058078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 22 Yes

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) 1.46 8.2 -40.77 4 7 1 88 300.342 1
Hi High (pH 8-9.5) 1.46 7.69 -18.5 3 7 0 87 299.334 1

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

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