UCSF

ZINC69740021

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 Yes

Popular Name: 2-[(3S)-4-(2-ethoxyethyl)-3-methyl-piperazin-1-yl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazole 2-[(3S)-4-(2-ethoxyethyl)-3-meth…

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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) 1.73 5.92 -9.52 0 6 0 46 309.439 5 ↓
Mid Mid (pH 6-8) 1.73 8.11 -46.32 1 6 1 47 310.447 5 ↓
Lo Low (pH 4.5-6) 1.73 8.56 -79.48 2 6 2 48 311.455 5 ↓

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

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