UCSF

ZINC17142940

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 12 No

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) -0.38 1.54 -10.33 0 5 0 52 164.168 2
Mid Mid (pH 6-8) -0.38 2.42 -27.52 1 5 1 53 165.176 2
Lo Low (pH 4.5-6) -0.38 2.57 -50.03 1 5 1 53 165.176 2

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

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