UCSF

ZINC66184158

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1,2-ethanediamine, N-(phenylmethyl)-N'-(1-phenylpropyl)- 1,2-ethanediamine, N-(phenylmeth…

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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) 2.84 8.36 -38.62 3 2 1 29 269.412 8 ↓
Mid Mid (pH 6-8) 2.84 8.49 -42.63 3 2 1 29 269.412 8 ↓
Mid Mid (pH 6-8) 2.84 9.7 -124.08 4 2 2 33 270.42 8 ↓

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Rings

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

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