UCSF

ZINC57762006

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 26 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) 1.76 8.33 -13.58 1 7 0 81 363.458 10
Lo Low (pH 4.5-6) 1.76 8.79 -41.82 2 7 1 82 364.466 10

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