UCSF

ZINC48961331

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 No

Popular Name: 3-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-5-isopropoxy-1,3,4-thiadiazole-2-thione 3-[[(5-bromo-2-thienyl)methyl-me…

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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) 3.56 5.8 -6.05 0 4 0 30 394.385 6 ↓
Lo Low (pH 4.5-6) 3.56 6.29 -33.03 1 4 1 32 395.393 6 ↓

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

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