UCSF

ZINC66984387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 29 No

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) 1.66 8.48 -47.05 3 8 1 93 399.519 8
Hi High (pH 8-9.5) 1.66 6.43 -15.52 2 8 0 92 398.511 8

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

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