UCSF

ZINC66184314

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 23 Yes

Popular Name: 1,2-ethanediamine, N-[[4-(1-methylethoxy)phenyl]methyl]-N'-(1-phenylethyl)- 1,2-ethanediamine, N-[[4-(1-meth…

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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) 4.04 8.71 -44.27 3 3 1 38 313.465 9 ↓
Mid Mid (pH 6-8) 4.04 9.82 -131.49 4 3 2 42 314.473 9 ↓
Mid Mid (pH 6-8) 4.04 8.46 -41.83 3 3 1 38 313.465 9 ↓

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Rings

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