UCSF

ZINC67968025

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 22 No

Popular Name: (4R)-5-[(2-methoxy-3-pyridyl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyrid (4R)-5-[(2-methoxy-3-pyridyl)met…

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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) 1.74 6.04 -36.73 2 5 1 55 319.454 6 ↓
Hi High (pH 8-9.5) 1.74 5.57 -8.91 1 5 0 54 318.446 6 ↓
Mid Mid (pH 6-8) 1.74 7.68 -100.9 3 5 2 56 320.462 6 ↓
Lo Low (pH 4.5-6) 1.74 7.21 -36.38 2 5 1 55 319.454 6 ↓

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

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