UCSF

ZINC33224192

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2009 29 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) 3.62 9.47 -16.31 0 6 0 58 451.379 5
Mid Mid (pH 6-8) 3.62 11.82 -52.47 1 6 1 59 452.387 5

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

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