UCSF

ZINC43969069

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Substance Information

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

Popular Name: (1R)-1-(2,5-dimethoxyphenyl)-N'-[(1S)-2-methoxy-1-methyl-ethyl]-N,N'-dimethyl-ethane-1,2-diamine (1R)-1-(2,5-dimethoxyphenyl)-N'-…

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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) 2.07 4.64 -28.97 2 5 1 44 297.419 9 ↓
Mid Mid (pH 6-8) 2.07 6.08 -103.7 3 5 2 49 298.427 9 ↓

Activity (Go SEA)

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