UCSF

ZINC39978689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 14 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) 1.54 4.07 -32.79 3 3 1 57 187.222 1
Mid Mid (pH 6-8) 1.54 3.65 -8.21 2 3 0 56 186.214 1

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