UCSF

ZINC40176699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.46 1.91 -14.77 2 8 0 105 392.433 5
Hi High (pH 8-9.5) 2.46 2.92 -54.75 1 8 -1 108 391.425 5

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