UCSF

ZINC20573400

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 33 Yes

Popular Name: 3,4,5-trimethoxy-N-[(1S)-1-methyl-2-oxo-2-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperi 3,4,5-trimethoxy-N-[(1S)-1-methy…

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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) 0.79 4.64 -45.84 4 10 1 119 458.539 6 ↓
Hi High (pH 8-9.5) 0.79 4.15 -16.62 3 10 0 118 457.531 6 ↓
Hi High (pH 8-9.5) 0.86 1.58 -20.99 3 10 0 121 457.531 6 ↓
Hi High (pH 8-9.5) 0.86 1.61 -22.33 3 10 0 121 457.531 6 ↓
Hi High (pH 8-9.5) 0.79 4.17 -15.89 3 10 0 118 457.531 6 ↓
Mid Mid (pH 6-8) 0.79 4.61 -45.81 4 10 1 119 458.539 6 ↓
Mid Mid (pH 6-8) 0.79 5.8 -120.26 5 10 2 124 459.547 6 ↓
Mid Mid (pH 6-8) 0.86 2.77 -61.53 4 10 1 126 458.539 6 ↓
Mid Mid (pH 6-8) 0.86 2.75 -60.61 4 10 1 126 458.539 6 ↓
Mid Mid (pH 6-8) 0.79 5.33 -58.06 4 10 1 122 458.539 6 ↓
Lo Low (pH 4.5-6) 0.86 3.23 -123.83 5 10 2 127 459.547 6 ↓

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