UCSF

ZINC66447882

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 22 No

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

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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) 3.67 9.37 -7.76 1 4 0 33 336.53 6 ↓
Mid Mid (pH 6-8) 3.67 10.19 -33.57 2 4 1 38 337.538 6 ↓
Mid Mid (pH 6-8) 3.67 9.51 -34.35 2 4 1 34 337.538 6 ↓

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

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