UCSF

ZINC66447672

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 22 No

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

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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) 2.83 11.8 -89.68 2 4 2 27 336.53 5 ↓
Mid Mid (pH 6-8) 2.83 11.67 -30.94 1 4 1 26 335.522 5 ↓
Mid Mid (pH 6-8) 2.83 9.87 -7.89 0 4 0 24 334.514 5 ↓

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

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