UCSF

ZINC40771510

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 14 Yes

Popular Name: 1-piperidineethanamine, N-butyl-4-methyl- 1-piperidineethanamine, N-butyl-…

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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) 2.36 7.56 -112.49 3 2 2 21 200.37 6 ↓
Mid Mid (pH 6-8) 2.36 5.33 -37.21 2 2 1 20 199.362 6 ↓
Mid Mid (pH 6-8) 2.36 6.21 -31.59 2 2 1 16 199.362 6 ↓

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