UCSF

ZINC57996029

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.42 5.4 -19.78 1 6 0 81 357.435 5
Mid Mid (pH 6-8) 1.42 5.89 -42.47 2 6 1 82 358.443 5

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

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