UCSF

ZINC49442286

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.10 7.29 -40.67 2 4 1 46 270.422 5
Mid Mid (pH 6-8) 2.28 5.81 -33.78 1 4 0 53 269.414 5

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