UCSF

ZINC66184316

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Substance Information

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

Popular Name: 1,2-ethanediamine, N-(1-phenylethyl)-N'-(1-phenylpropyl)- 1,2-ethanediamine, N-(1-phenylet…

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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) 3.40 9.24 -40.07 3 2 1 29 283.439 8 ↓
Mid Mid (pH 6-8) 3.40 9.09 -40 3 2 1 29 283.439 8 ↓
Lo Low (pH 4.5-6) 3.40 10.33 -123.61 4 2 2 33 284.447 8 ↓

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Rings

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

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