UCSF

ZINC53345094

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 Yes

Popular Name: 1,2-ethanediamine, N-methyl-N-(phenylmethyl)-N'-[(tetrahydro-2-furanyl)methyl]- 1,2-ethanediamine, N-methyl-N-(p…

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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) 1.55 6.15 -34.88 2 3 1 26 249.378 7 ↓
Mid Mid (pH 6-8) 1.55 5.17 -37.46 2 3 1 29 249.378 7 ↓
Lo Low (pH 4.5-6) 1.55 7.49 -115 3 3 2 30 250.386 7 ↓

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Rings

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

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