UCSF

ZINC24985710

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 30 Yes

Popular Name: 4-ethoxy-N-[(1R)-1-methyl-2-oxo-2-spiro[3,5,6,7-tetrahydroimidazo[5,4-c]pyridine-4,4'-piperidine]-1' 4-ethoxy-N-[(1R)-1-methyl-2-oxo-…

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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) 1.59 5.79 -42.51 4 8 1 101 412.514 5 ↓
Hi High (pH 8-9.5) 1.59 5.33 -14.02 3 8 0 99 411.506 5 ↓
Mid Mid (pH 6-8) 1.59 6.44 -55.07 4 8 1 104 412.514 5 ↓
Lo Low (pH 4.5-6) 1.59 6.91 -115.45 5 8 2 105 413.522 5 ↓

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Rings

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