UCSF

ZINC67741855

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 20 No

Popular Name: (4S)-4-(2-methylsulfanylethyl)-5-(2-pyridylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4S)-4-(2-methylsulfanylethyl)-5…

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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) 1.46 7.7 -35.33 2 4 1 46 289.428 5 ↓
Hi High (pH 8-9.5) 1.46 7.22 -8.22 1 4 0 45 288.42 5 ↓
Mid Mid (pH 6-8) 1.46 8.94 -38.61 2 4 1 46 289.428 5 ↓
Lo Low (pH 4.5-6) 1.46 7.7 -81 3 4 2 47 290.436 5 ↓

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

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