UCSF

ZINC75872313

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2012 19 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) 1.33 6.07 -13.68 1 5 0 67 257.224 2
Mid Mid (pH 6-8) 1.78 4 -44.05 0 5 -1 70 256.216 2

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

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