UCSF

ZINC66448289

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 23 No

Popular Name: 5-(dimethylamino)-3-[[methyl-[3-(2-methylphenoxy)propyl]amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[methyl-[3-…

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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) 2.98 8.79 -11.58 0 5 0 34 352.529 8 ↓
Mid Mid (pH 6-8) 2.98 11.21 -41.1 1 5 1 35 353.537 8 ↓

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

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