UCSF

ZINC63730490

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 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) 1.97 8.57 -40.33 1 6 1 57 298.37 5
Hi High (pH 8-9.5) 1.97 6.09 -18.04 0 6 0 56 297.362 5

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

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