UCSF

ZINC67955173

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 30 Yes

Popular Name: 5-[[(3S)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]-N-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]p 5-[[(3S)-3-hydroxy-2-oxo-1-phene…

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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) 0.75 5.78 -35.31 4 8 1 103 412.514 6 ↓
Mid Mid (pH 6-8) 0.75 4.76 -17.19 3 8 0 102 411.506 6 ↓

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Rings

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

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