UCSF

ZINC53650633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 1.02 4.29 -30.69 2 3 1 26 213.345 7
Mid Mid (pH 6-8) 1.02 5.63 -106.94 3 3 2 30 214.353 7

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

No pre-computed analogs available. Try a structural similarity search.