UCSF

ZINC40175457

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 20 Yes

Popular Name: (R)-N-(2,2-Dimethylpropyl)-1-phenyl-1-(1-piperidinyl)ethylamine (R)-N-(2,2-Dimethylpropyl)-1-phe…

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CAS Number: 153837-28-6

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) 4.32 11.37 -118.84 3 2 2 21 276.468 6 ↓
Mid Mid (pH 6-8) 4.32 10.58 -35.47 2 2 1 16 275.46 6 ↓
Mid Mid (pH 6-8) 4.32 9.62 -32.02 2 2 1 20 275.46 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 36-40? Alfa-Aesar
Melting_Point 36-40° Alfa-Aesar

Activity (Go SEA)

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