UCSF

ZINC66449143

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Substance Information

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

Popular Name: 2-[4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]benzonitrile 2-[4-[[5-(dimethylamino)-2-thiox…

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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) 1.93 8.87 -13.47 0 6 0 51 360.512 4 ↓
Lo Low (pH 4.5-6) 1.93 8.99 -34.86 1 6 1 53 361.52 4 ↓

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

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