UCSF

ZINC52583542

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 21 No

Popular Name: 5-methyl-3-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 5-methyl-3-[[4-[(5-methylisoxazo…

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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) 0.36 3.62 -14.65 0 6 0 50 325.463 4 ↓
Mid Mid (pH 6-8) 0.36 5.9 -44.99 1 6 1 52 326.471 4 ↓

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

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