UCSF

ZINC48797092

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 18 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) -0.11 3.19 -18.28 1 7 0 90 281.322 2
Hi High (pH 8-9.5) -0.04 2.69 -62.1 0 7 -1 96 280.314 2

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

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