UCSF

ZINC42444537

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 No

Popular Name: (2S)-3-[ethyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-2-methyl-propanethioamide (2S)-3-[ethyl(imidazo[1,2-a]pyri…

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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) 1.38 6.85 -35.29 3 4 1 48 277.417 6 ↓
Hi High (pH 8-9.5) 1.38 6.07 -12.43 2 4 0 47 276.409 6 ↓
Mid Mid (pH 6-8) 1.38 7.94 -38.63 3 4 1 48 277.417 6 ↓
Mid Mid (pH 6-8) 1.38 8.71 -103.29 4 4 2 49 278.425 6 ↓

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