UCSF

ZINC39227957

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 5.39 12.01 -32.52 2 4 1 39 399.514 5
Mid Mid (pH 6-8) 5.39 9.87 -8.02 1 4 0 37 398.506 5

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