UCSF

ZINC57921370

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 21 Yes

Popular Name: N,N-diethyl-4-[[2-(4-pyridyl)ethylamino]methyl]aniline N,N-diethyl-4-[[2-(4-pyridyl)eth…

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Download: MOL2 SDF SMILES Flexibase

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) 2.87 8.32 -16.45 2 3 0 29 284.427 8 ↓
Mid Mid (pH 6-8) 2.87 9.57 -46.89 2 3 1 33 284.427 8 ↓
Mid Mid (pH 6-8) 2.87 8.77 -56.96 3 3 0 31 285.435 8 ↓
Mid Mid (pH 6-8) 2.87 8.22 -5.19 1 3 0 28 283.419 8 ↓

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

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