UCSF

ZINC68959962

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 24 No

Popular Name: 3-[[2-(3-chlorophenoxy)ethyl-methyl-amino]methyl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole-2-thione 3-[[2-(3-chlorophenoxy)ethyl-met…

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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) 3.37 9.17 -12.96 0 5 0 34 384.958 7 ↓
Lo Low (pH 4.5-6) 3.37 11.67 -41.62 1 5 1 35 385.966 7 ↓

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

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