UCSF

ZINC42277101

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 Yes

Popular Name: (1R,3R)-1-[(2-methoxyethylamino)methyl]-N,N,3-trimethyl-cyclohexanamine (1R,3R)-1-[(2-methoxyethylamino)…

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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) 1.74 4.88 -34.34 2 3 1 29 229.388 6 ↓
Mid Mid (pH 6-8) 1.74 6.19 -27.39 2 3 1 26 229.388 6 ↓
Mid Mid (pH 6-8) 1.74 6.59 -105.72 3 3 2 30 230.396 6 ↓

Activity (Go SEA)

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