UCSF

ZINC40787883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 34 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) 3.94 9.82 -16.01 0 7 0 60 461.493 5
Mid Mid (pH 6-8) 3.94 12.03 -57.38 1 7 1 61 462.501 5

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