UCSF

ZINC52894448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 0.47 4.08 -12.4 1 7 0 76 358.442 6
Mid Mid (pH 6-8) 0.47 6.05 -49.82 2 7 1 78 359.45 6

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

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