UCSF

ZINC66182794

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Substance Information

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

Popular Name: 1,2-ethanediamine, N-methyl-N'-(1-phenylethyl)-N-(phenylmethyl)- 1,2-ethanediamine, N-methyl-N'-(…

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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 9.63 -37.01 2 2 1 16 269.412 7 ↓
Mid Mid (pH 6-8) 3.48 8.42 -40.03 2 2 1 20 269.412 7 ↓
Lo Low (pH 4.5-6) 3.48 10.74 -123 3 2 2 21 270.42 7 ↓

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Rings

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

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