UCSF

ZINC48947557

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Substance Information

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

Popular Name: (1S)-1-(4-tert-butylphenyl)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1S)-1-(4-tert-butylphenyl)-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) 1.54 6.21 -36.86 3 3 1 40 291.459 6 ↓
Hi High (pH 8-9.5) 1.54 5.8 -2.74 2 3 0 38 290.451 6 ↓
Mid Mid (pH 6-8) 1.54 8.17 -121.92 4 3 2 41 292.467 6 ↓

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

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