UCSF

ZINC53432200

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 Yes

Popular Name: N-[(4-methoxyphenyl)methyl]-N-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-[(4-methoxyphenyl)methyl]-N-me…

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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) 1.61 5.36 -38.79 2 4 1 35 279.404 8 ↓
Mid Mid (pH 6-8) 1.61 4.47 -39.41 2 4 1 38 279.404 8 ↓
Lo Low (pH 4.5-6) 1.61 6.78 -118.59 3 4 2 40 280.412 8 ↓

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

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