UCSF

ZINC66184308

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Substance Information

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

Popular Name: 1,2-ethanediamine, N-[(2-chlorophenyl)methyl]-N'-(1-phenylethyl)- 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) 3.87 8.03 -39.52 3 2 1 29 289.83 7 ↓
Mid Mid (pH 6-8) 3.87 9.41 -122.45 4 2 2 33 290.838 7 ↓
Mid Mid (pH 6-8) 3.87 8.31 -37.85 3 2 1 29 289.83 7 ↓

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Rings

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

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