UCSF

ZINC66448165

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 26 No

Popular Name: (3R)-1-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-(6-methyl-2-pyridyl)piperidine-3 (3R)-1-[[5-(dimethylamino)-2-thi…

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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) 1.36 7.94 -18.3 1 7 0 66 392.554 5 ↓
Mid Mid (pH 6-8) 1.36 10.27 -42.4 2 7 1 67 393.562 5 ↓

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

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