UCSF

ZINC53424984

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: N'-benzyl-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N'-benzyl-N-ethyl-N-[[(2S)-tetra…

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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) 2.28 5.81 -39.72 2 3 1 29 263.405 8 ↓
Mid Mid (pH 6-8) 2.28 6.91 -32.17 2 3 1 26 263.405 8 ↓
Lo Low (pH 4.5-6) 2.28 8.27 -115.25 3 3 2 30 264.413 8 ↓

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

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