UCSF

ZINC66184156

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 22 Yes

Popular Name: 1,2-ethanediamine, N-[[4-(1-methylethoxy)phenyl]methyl]-N'-(phenylmethyl)- 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) 3.48 7.85 -44.29 3 3 1 38 299.438 9 ↓
Mid Mid (pH 6-8) 3.48 9.2 -131.4 4 3 2 42 300.446 9 ↓
Mid Mid (pH 6-8) 3.48 7.85 -43.28 3 3 1 38 299.438 9 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.