UCSF

ZINC00701744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 Yes

Popular Name: 2-[[2-[[(2-fluorobenzyl)-(4-fluorobenzyl)amino]methyl]thiazole-4-carbonyl]amino]ethyl-dimethyl-ammon 2-[[2-[[(2-fluorobenzyl)-(4-fluo…

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Download: MOL2 SDF SMILES Flexibase

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) 2.94 9.38 -42.43 2 5 1 50 445.559 10 ↓
Hi High (pH 8-9.5) 2.94 6.84 -14.24 1 5 0 48 444.551 10 ↓
Mid Mid (pH 6-8) 2.94 11.62 -98.43 3 5 2 51 446.567 10 ↓

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