UCSF

ZINC66447491

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 24 No

Popular Name: 5-(dimethylamino)-3-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[(2S)-2-(4-…

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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) 3.05 11.2 -97.35 2 5 2 36 366.556 6 ↓
Mid Mid (pH 6-8) 3.05 11.43 -36.34 1 5 1 35 365.548 6 ↓
Mid Mid (pH 6-8) 3.05 9.45 -11.92 0 5 0 34 364.54 6 ↓

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

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