UCSF

ZINC49320285

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 No

Popular Name: 3-[[methyl-[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]methyl]-5-methylsulfanyl-1,3,4-thiadiazole-2-thio 3-[[methyl-[(1R)-1-(5-methyl-2-t…

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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) 3.21 7.45 -7.96 0 3 0 21 331.557 5 ↓
Lo Low (pH 4.5-6) 3.21 9.87 -34.53 1 3 1 22 332.565 5 ↓

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

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