UCSF

ZINC66448336

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 20 No

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

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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) 2.80 10.6 -97.05 2 4 2 27 314.524 4 ↓
Mid Mid (pH 6-8) 2.80 8.15 -8.59 0 4 0 24 312.508 4 ↓
Mid Mid (pH 6-8) 2.80 10.52 -31.99 1 4 1 26 313.516 4 ↓

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

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