UCSF

ZINC20573496

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 34 No

Popular Name: N-[(1S)-3-methylsulfanyl-1-(spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbo N-[(1S)-3-methylsulfanyl-1-(spir…

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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) 2.80 9.59 -41.79 4 7 1 91 478.642 6 ↓
Hi High (pH 8-9.5) 2.80 9.13 -14.26 3 7 0 90 477.634 6 ↓
Hi High (pH 8-9.5) 2.80 9.1 -14.02 3 7 0 90 477.634 6 ↓
Mid Mid (pH 6-8) 2.80 10.29 -53.94 4 7 1 95 478.642 6 ↓
Lo Low (pH 4.5-6) 2.80 10.75 -116.02 5 7 2 96 479.65 6 ↓

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