UCSF

ZINC20360428

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 Yes

Popular Name: (1S)-N,N-dimethyl-N'-[(1-methylpyrrol-2-yl)methyl]-1-(2-thienyl)ethane-1,2-diamine (1S)-N,N-dimethyl-N'-[(1-methylp…

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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) 2.23 7.21 -36.52 2 3 1 21 264.418 6 ↓
Mid Mid (pH 6-8) 2.23 6.4 -42.32 2 3 1 25 264.418 6 ↓
Mid Mid (pH 6-8) 2.23 4.97 -3.93 1 3 0 20 263.41 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.