UCSF

ZINC25338284

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 28 Yes

Popular Name: [(3R)-1-(1-benzyl-4-piperidyl)-3-piperidyl]-(4-methylpiperazin-1-yl)methanone [(3R)-1-(1-benzyl-4-piperidyl)-3…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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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) 2.18 8.23 -40.88 1 5 1 31 385.576 4 ↓
Mid Mid (pH 6-8) 2.18 10.61 -87.03 2 5 2 32 386.584 4 ↓
Lo Low (pH 4.5-6) 2.18 10.69 -93.8 2 5 2 32 386.584 4 ↓

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