UCSF

ZINC66447754

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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]-N-[(1S)-1-methylpropy 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) 1.34 4.57 -14.47 1 7 0 57 372.564 7 ↓
Lo Low (pH 4.5-6) 1.34 4.63 -38.14 2 7 1 58 373.572 7 ↓

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

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