UCSF

ZINC69981845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 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) 4.30 5.56 -11.1 2 4 0 66 300.383 2
Hi High (pH 8-9.5) 4.76 3.72 -53.87 1 4 -1 69 299.375 2

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

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