UCSF

ZINC20573415

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 Yes

Popular Name: 4-tert-butyl-N-[(1S)-1-methyl-2-oxo-2-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine 4-tert-butyl-N-[(1S)-1-methyl-2-…

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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 7.8 -41.59 4 7 1 91 424.569 4 ↓
Hi High (pH 8-9.5) 2.87 7.31 -13.29 3 7 0 90 423.561 4 ↓
Hi High (pH 8-9.5) 2.87 7.34 -13 3 7 0 90 423.561 4 ↓
Mid Mid (pH 6-8) 2.87 8.44 -55.38 4 7 1 95 424.569 4 ↓
Lo Low (pH 4.5-6) 2.87 8.97 -114.58 5 7 2 96 425.577 4 ↓

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