UCSF

ZINC52868692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 26 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) 2.75 10.65 -41.85 1 5 1 43 357.474 7
Hi High (pH 8-9.5) 2.75 8.86 -12.52 0 5 0 42 356.466 7

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

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