UCSF

ZINC38573783

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 Yes

Popular Name: N-[(1S)-2-[(3aS)-spiro[3a,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-1-methyl-2- N-[(1S)-2-[(3aS)-spiro[3a,5,6,7-…

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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) 0.80 5.04 -61.06 3 8 1 100 398.487 5 ↓
Mid Mid (pH 6-8) 0.80 4.27 -15.47 2 8 0 95 397.479 5 ↓

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

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