UCSF

ZINC52712191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 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) 3.38 6.61 -12.2 2 5 0 60 356.466 8
Mid Mid (pH 6-8) 3.38 7.17 -33.84 3 5 1 64 357.474 8

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