UCSF

ZINC05289436

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.99 6.2 -9.34 1 5 0 68 299.326 5
Hi High (pH 8-9.5) 3.99 6.96 -49.4 0 5 -1 71 298.318 5
Lo Low (pH 4.5-6) 3.99 6.66 -33.21 2 5 1 70 300.334 5

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