UCSF

ZINC62993144

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 34 No

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) 3.58 7.5 -47.55 1 7 0 60 464.586 7
Mid Mid (pH 6-8) 3.58 7.38 -9.84 0 7 0 58 463.578 7
Mid Mid (pH 6-8) 3.58 9.76 -130.24 2 7 0 61 465.594 7

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

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