UCSF

ZINC49523873

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 35 No

Popular Name: N-[[1-(2-fluorobenzoyl)-4-piperidyl]methyl]-N'-(oxoBLAHyl)oxamide N-[[1-(2-fluorobenzoyl)-4-piperi…

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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) 1.58 8.38 -22.32 2 8 0 99 478.524 5 ↓
Hi High (pH 8-9.5) 2.36 7.08 -60.87 2 8 -1 106 477.516 5 ↓

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

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