UCSF

ZINC31843633

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 16 Yes

Popular Name: 1-methyl-4-(p-tolylmethyl)piperidin-4-amine 1-methyl-4-(p-tolylmethyl)piperi…

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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) 2.47 4.55 -40.36 3 2 1 31 219.352 2 ↓
Mid Mid (pH 6-8) 2.47 6.77 -36.61 3 2 1 30 219.352 2 ↓
Mid Mid (pH 6-8) 2.47 6.97 -109.8 4 2 2 32 220.36 2 ↓

Activity (Go SEA)

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