UCSF

ZINC67740451

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: 3-[(4R)-5-[(2-butyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol 3-[(4R)-5-[(2-butyl-1H-imidazol-…

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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) 2.87 7.26 -82.59 5 6 2 83 353.47 6 ↓
Ref Reference (pH 7) 2.87 7.62 -82.53 5 6 2 83 353.47 6 ↓
Hi High (pH 8-9.5) 2.87 7.14 -40.79 4 6 1 82 352.462 6 ↓
Hi High (pH 8-9.5) 2.87 7.12 -38.46 4 6 1 82 352.462 6 ↓
Mid Mid (pH 6-8) 2.87 6.83 -38.82 4 6 1 82 352.462 6 ↓
Mid Mid (pH 6-8) 2.87 8.21 -40.12 4 6 1 82 352.462 6 ↓
Mid Mid (pH 6-8) 2.87 6.85 -38.4 4 6 1 82 352.462 6 ↓
Mid Mid (pH 6-8) 2.87 7.17 -40.56 4 6 1 82 352.462 6 ↓
Lo Low (pH 4.5-6) 2.87 9.09 -191.94 6 6 3 85 354.478 6 ↓

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

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