UCSF

ZINC66963528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 26 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) 3.25 9.49 -13.46 1 6 0 56 358.486 3
Lo Low (pH 4.5-6) 3.25 9.85 -52.85 2 6 1 57 359.494 3

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

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