UCSF

ZINC53374824

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Substance Information

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

Popular Name: N,N'-dibenzyl-N-ethyl-ethane-1,2-diamine N,N'-dibenzyl-N-ethyl-ethane-1,2…

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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) 3.30 9.47 -35.12 2 2 1 16 269.412 8 ↓
Mid Mid (pH 6-8) 3.30 8.7 -40.22 2 2 1 20 269.412 8 ↓
Lo Low (pH 4.5-6) 3.30 10.84 -118.66 3 2 2 21 270.42 8 ↓

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

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