UCSF

ZINC66190593

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 21 Yes

Popular Name: 1,2-ethanediamine, N-[(2-chlorophenyl)methyl]-N'-[(4-methoxyphenyl)methyl]- 1,2-ethanediamine, N-[(2-chlorop…

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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) 3.37 6.72 -44.13 3 3 1 38 305.829 8 ↓
Mid Mid (pH 6-8) 3.37 6.74 -40.01 3 3 1 38 305.829 8 ↓
Mid Mid (pH 6-8) 3.37 8.09 -126.26 4 3 2 42 306.837 8 ↓

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

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