UCSF

ZINC49917798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 44 No

Popular Name: N-(1-benzyl-4-piperidyl)-N-[[3-[4-[(phenethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxami N-(1-benzyl-4-piperidyl)-N-[[3-[…

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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) 7.63 20.24 -44.94 2 4 1 37 600.852 12 ↓
Hi High (pH 8-9.5) 7.63 18 -12.07 1 4 0 36 599.844 12 ↓
Mid Mid (pH 6-8) 7.63 21.6 -109.94 3 4 2 41 601.86 12 ↓

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

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