UCSF

ZINC21529564

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 Yes

Popular Name: (3S)-1-[(4-methyl-1-piperidyl)sulfonyl]-N-[3-[4-(1-piperidyl)-1-piperidyl]propyl]piperidine-3-carbox (3S)-1-[(4-methyl-1-piperidyl)su…

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Download: MOL2 SDF SMILES Flexibase

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) 2.38 7.58 -50.82 2 8 1 77 498.758 8 ↓
Lo Low (pH 4.5-6) 2.38 9.93 -128.47 3 8 2 79 499.766 8 ↓
Lo Low (pH 4.5-6) 2.38 7.72 -58.18 2 8 1 77 498.758 8 ↓

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Rings

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

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