UCSF

ZINC67446777

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: (4R)-4-(5-chloro-2-thienyl)-5-[(2-ethylpyrimidin-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridi (4R)-4-(5-chloro-2-thienyl)-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) 3.10 8.49 -38.25 2 5 1 59 360.894 4 ↓
Mid Mid (pH 6-8) 3.10 8.02 -9.43 1 5 0 58 359.886 4 ↓
Lo Low (pH 4.5-6) 3.10 10.65 -104.54 3 5 2 60 361.902 4 ↓

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

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