UCSF

ZINC42407739

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 Yes

Popular Name: N-methyl-1-[(2R)-1-pentyl-2-piperidyl]methanamine N-methyl-1-[(2R)-1-pentyl-2-pipe…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.97 7.74 -109.28 3 2 2 21 200.37 6 ↓
Mid Mid (pH 6-8) 2.97 5.92 -35.04 2 2 1 20 199.362 6 ↓
Mid Mid (pH 6-8) 2.97 6.46 -29.64 2 2 1 16 199.362 6 ↓

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