UCSF

ZINC66879680

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.04 5.99 -47.76 2 6 1 71 374.571 6
Mid Mid (pH 6-8) 3.04 3.82 -12.97 1 6 0 70 373.563 6

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

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