UCSF

ZINC41635222

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 Yes

Popular Name: 5-[(R)-(2-chloro-6-fluoro-phenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-thiazolo[2,3-e][1,2, 5-[(R)-(2-chloro-6-fluoro-phenyl…

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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) 2.43 4.94 -38.24 2 6 0 78 370.837 5 ↓
Hi High (pH 8-9.5) 2.43 3.25 -52.7 1 6 -1 77 369.829 5 ↓
Mid Mid (pH 6-8) 2.43 2.55 -10.22 2 6 0 74 370.837 5 ↓
Mid Mid (pH 6-8) 2.43 4.23 -33.01 3 6 1 75 371.845 5 ↓

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

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