UCSF

ZINC52953935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 28 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) 2.70 7.59 -14.36 3 7 0 88 379.464 6
Mid Mid (pH 6-8) 2.70 8.08 -37.82 4 7 1 89 380.472 6

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

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