UCSF

ZINC43965932

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Substance Information

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

Popular Name: (1S)-1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1S)-1-(3,4-dimethylphenyl)-N,N'…

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Vendors

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) 2.91 8.87 -113.24 3 3 2 30 278.44 6 ↓
Hi High (pH 8-9.5) 2.91 5.95 -3.13 1 3 0 24 276.424 6 ↓
Mid Mid (pH 6-8) 2.91 6.94 -31.64 2 3 1 29 277.432 6 ↓
Mid Mid (pH 6-8) 2.91 7.81 -34.57 2 3 1 26 277.432 6 ↓

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