UCSF

ZINC49917690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 48 No

Popular Name: 1-(1-benzyl-4-piperidyl)-3-phenethyl-1-[[3-[4-[(phenethylamino)methyl]phenyl]phenyl]methyl]urea 1-(1-benzyl-4-piperidyl)-3-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) 8.53 22.61 -44.75 3 5 1 49 637.892 14 ↓
Hi High (pH 8-9.5) 8.53 20.36 -13.92 2 5 0 48 636.884 14 ↓
Mid Mid (pH 6-8) 8.53 23.96 -108.51 4 5 2 53 638.9 14 ↓

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

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