UCSF

ZINC39264744

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 29 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) 5.43 13 -13.55 3 6 0 79 387.487 6
Lo Low (pH 4.5-6) 5.43 13.4 -37.96 4 6 1 80 388.495 6

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