UCSF

ZINC43967171

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Substance Information

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

Popular Name: (1S)-1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (1S)-1-(2,4-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) 2.31 7.14 -42.9 2 4 1 38 287.431 6 ↓
Hi High (pH 8-9.5) 2.31 4.92 -6.26 1 4 0 33 286.423 6 ↓
Mid Mid (pH 6-8) 2.31 8.15 -39.56 2 4 1 34 287.431 6 ↓
Lo Low (pH 4.5-6) 2.31 8.99 -129.65 3 4 2 39 288.439 6 ↓

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