UCSF

ZINC42095721

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 No

Popular Name: 3-[[4-(5-bromo-2-pyridyl)piperazin-1-yl]methyl]thiazolidine-2-thione 3-[[4-(5-bromo-2-pyridyl)piperaz…

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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) 2.82 7.04 -13.59 0 4 0 23 373.345 3 ↓
Mid Mid (pH 6-8) 2.82 9.36 -51.85 1 4 1 24 374.353 3 ↓

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

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