UCSF

ZINC53345642

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 Yes

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

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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) 2.00 6.73 -35.75 2 3 1 26 263.405 7 ↓
Mid Mid (pH 6-8) 2.00 5.84 -37.42 2 3 1 29 263.405 7 ↓
Lo Low (pH 4.5-6) 2.00 8.15 -115.08 3 3 2 30 264.413 7 ↓

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

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