UCSF

ZINC35151285

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 21 Yes

Popular Name: (1S)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-[[(2R)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine (1S)-1-(3-methoxyphenyl)-N,N-dim…

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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) 2.27 6.3 -36.67 2 4 1 35 293.431 7 ↓
Hi High (pH 8-9.5) 2.27 3.98 -3.86 1 4 0 34 292.423 7 ↓
Mid Mid (pH 6-8) 2.27 5.3 -38.78 2 4 1 38 293.431 7 ↓
Mid Mid (pH 6-8) 2.27 7.57 -111.77 3 4 2 40 294.439 7 ↓

Activity (Go SEA)

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