UCSF

ZINC66961971

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 21 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) 1.53 6.65 -41.38 1 5 1 43 299.435 7
Hi High (pH 8-9.5) 1.53 4.32 -5.54 0 5 0 42 298.427 7
Lo Low (pH 4.5-6) 1.53 8.76 -113 2 5 2 44 300.443 7

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

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