UCSF

ZINC33699298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 30 No

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) 3.29 10.51 -12.06 1 6 0 54 431.533 10
Mid Mid (pH 6-8) 3.29 12.78 -37.11 2 6 1 55 432.541 10

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