UCSF

ZINC00701724

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 Yes

Popular Name: 2-[[(2-fluorobenzyl)-(4-fluorobenzyl)amino]methyl]-N-(2-morpholinoethyl)thiazole-4-carboxamide 2-[[(2-fluorobenzyl)-(4-fluorobe…

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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) 2.79 6.48 -15.11 1 6 0 58 486.588 10 ↓
Mid Mid (pH 6-8) 2.79 8.72 -57.93 2 6 1 59 487.596 10 ↓
Lo Low (pH 4.5-6) 2.79 11.06 -101.41 3 6 2 60 488.604 10 ↓

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