UCSF

ZINC48947571

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Substance Information

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

Popular Name: (1S)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (1S)-N'-methyl-N'-[[(2S)-tetrahy…

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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) 1.03 5.7 -26.92 3 3 0 40 277.432 5 ↓
Hi High (pH 8-9.5) 1.03 4.88 -4.01 2 3 0 38 276.424 5 ↓
Mid Mid (pH 6-8) 1.03 7.65 -102.62 4 3 0 41 278.44 5 ↓

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

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