UCSF

ZINC49320321

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 0.06 -0.44 -18.55 2 6 0 84 297.38 5
Mid Mid (pH 6-8) 0.06 2.33 -46.84 3 6 1 85 298.388 5

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

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