UCSF

ZINC19450394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 31 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) 1.33 6.49 -45.46 2 7 1 61 431.601 8
Mid Mid (pH 6-8) 1.33 4.17 -14.72 1 7 0 59 430.593 8

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

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