UCSF

ZINC13263308

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 33 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) 4.37 4.86 -54.8 2 9 -1 142 489.551 8
Hi High (pH 8-9.5) 4.37 4.94 -124.77 1 9 -2 144 488.543 8
Hi High (pH 8-9.5) 4.37 4.98 -103.33 1 9 -2 144 488.543 8
Hi High (pH 8-9.5) 4.37 5.05 -195.57 0 9 -3 146 487.535 8

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

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