UCSF

ZINC67968035

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: (4S)-5-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-fluoro-4-methoxy-phenyl)-1,4,6,7-tetrahydroimidazo[4,5-c (4S)-5-[(2-ethylpyrimidin-5-yl)m…

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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) 2.12 9.33 -45.35 2 6 1 68 368.436 5 ↓
Mid Mid (pH 6-8) 2.12 7.69 -11.7 1 6 0 67 367.428 5 ↓
Mid Mid (pH 6-8) 2.12 8.15 -37.45 2 6 1 68 368.436 5 ↓

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

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