UCSF

ZINC46672223

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2010 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) 3.46 6.87 -10.88 1 5 0 53 386.323 6
Mid Mid (pH 6-8) 3.46 9.02 -46.88 2 5 1 54 387.331 6

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

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