UCSF

ZINC22726939

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 25 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) 3.86 5.55 -13.04 1 5 0 70 354.431 4
Hi High (pH 8-9.5) 3.86 6.27 -54.76 0 5 -1 73 353.423 4
Lo Low (pH 4.5-6) 3.86 5.99 -38.57 2 5 1 72 355.439 4

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