UCSF

ZINC38573787

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 Yes

Popular Name: N-[3-[(3aS)-spiro[3a,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-oxo-propyl]-3, N-[3-[(3aS)-spiro[3a,5,6,7-tetra…

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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) 0.41 3.77 -75.8 3 9 1 109 428.513 6 ↓
Mid Mid (pH 6-8) 0.41 2.97 -26.92 2 9 0 105 427.505 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.