UCSF

ZINC20573284

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 26 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) 0.78 6.33 -46.86 4 7 1 91 380.538 6 ↓
Ref Reference (pH 7) 0.78 6.37 -46.76 4 7 1 91 380.538 6 ↓
Hi High (pH 8-9.5) 0.78 5.91 -23.57 3 7 0 90 379.53 6 ↓
Hi High (pH 8-9.5) 0.78 5.88 -21.59 3 7 0 90 379.53 6 ↓
Mid Mid (pH 6-8) 0.78 5.65 -55.35 4 7 1 95 380.538 6 ↓

Activity (Go SEA)

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