UCSF

ZINC48947574

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R)-1-(2,5-dimethylphenyl)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1R)-1-(2,5-dimethylphenyl)-N'-m…

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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) 0.66 5.36 -41.31 3 3 1 40 263.405 5 ↓
Hi High (pH 8-9.5) 0.66 4.68 -3.41 2 3 0 38 262.397 5 ↓
Mid Mid (pH 6-8) 0.66 7.35 -128.84 4 3 2 41 264.413 5 ↓

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

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