UCSF

ZINC66447943

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 21 No

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

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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) 3.04 8.64 -9.79 0 4 0 24 342.921 6 ↓
Lo Low (pH 4.5-6) 3.04 11.03 -31.66 1 4 1 26 343.929 6 ↓

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

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