UCSF

ZINC41586087

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

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) 3.49 8.37 -14.73 1 8 0 88 461.518 5
Hi High (pH 8-9.5) 3.49 9.14 -45.03 0 8 -1 91 460.51 5
Mid Mid (pH 6-8) 3.49 10.61 -53.3 2 8 1 89 462.526 5

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

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