UCSF

ZINC52447996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 27 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) 1.92 7.55 -49.72 2 9 1 91 372.453 10
Hi High (pH 8-9.5) 1.92 5.06 -18.25 1 9 0 90 371.445 10

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

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