UCSF

ZINC41513764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 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) 5.68 12.84 -37.73 2 4 1 55 380.508 7
Hi High (pH 8-9.5) 5.68 13.45 -22.85 1 4 0 58 379.5 7

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

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