UCSF

ZINC49917557

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 45 No

Popular Name: N-(1-benzyl-4-piperidyl)-N-[[2-[4-[(phenethylamino)methyl]phenyl]phenyl]methyl]benzamide N-(1-benzyl-4-piperidyl)-N-[[2-[…

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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) 7.23 20.54 -42.09 2 4 1 37 594.823 12 ↓
Hi High (pH 8-9.5) 7.23 18.29 -10.73 1 4 0 36 593.815 12 ↓
Mid Mid (pH 6-8) 7.23 21.89 -109.68 3 4 2 41 595.831 12 ↓

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

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