UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-2-[6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-eth (E)-2-[6-(4-bromophenyl)imidazo[…

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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) 2.05 8.34 -44.98 2 7 0 83 435.327 6 ↓
Hi High (pH 8-9.5) 2.05 7.46 -15.21 1 7 0 81 434.319 6 ↓

Analogs

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Popular Name: 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazole 2-[4-(3,4-dichlorophenyl)sulfony…

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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) 3.23 6.28 -15.64 0 7 0 71 432.358 3 ↓
Lo Low (pH 4.5-6) 3.23 6.7 -36.06 1 7 1 72 433.366 3 ↓

Analogs

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Popular Name: N-[(2-methoxy-3-pyridyl)methyl]-6-methyl-imidazo[1,2-d][1,3,4]thiadiazol-2-amine N-[(2-methoxy-3-pyridyl)methyl]-…

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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) 1.41 3.85 -12.6 1 6 0 64 275.337 4 ↓
Lo Low (pH 4.5-6) 1.41 4.27 -29.84 2 6 1 66 276.345 4 ↓

Analogs

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Popular Name: N-[(2-ethoxy-3-pyridyl)methyl]-6-methyl-imidazo[1,2-d][1,3,4]thiadiazol-2-amine N-[(2-ethoxy-3-pyridyl)methyl]-6…

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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) 1.79 4.82 -12.34 1 6 0 64 289.364 5 ↓
Lo Low (pH 4.5-6) 1.79 5.23 -29.65 2 6 1 66 290.372 5 ↓

Analogs

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Popular Name: 3-cyclopentyl-1-[4-(6-methylimidazo[1,2-d][1,3,4]thiadiazol-2-yl)piperazin-1-yl]propan-1-one 3-cyclopentyl-1-[4-(6-methylimid…

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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) 2.68 10.05 -15.6 0 6 0 54 347.488 4 ↓
Lo Low (pH 4.5-6) 2.68 10.5 -32.08 1 6 1 55 348.496 4 ↓

Analogs

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Popular Name: N-[(3R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-piperidyl]methanesulfonamide N-[(3R)-1-(6-methylimidazo[2,1-b…

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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) 0.70 2.98 -19.27 1 7 0 80 315.424 3 ↓
Lo Low (pH 4.5-6) 0.70 3.43 -34.72 2 7 1 81 316.432 3 ↓

Analogs

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Popular Name: N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine N-[(1S)-1-imidazo[2,1-b][1,3,4]t…

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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) 3.18 8.43 -14.32 1 6 0 68 342.35 6 ↓
Lo Low (pH 4.5-6) 3.18 8.71 -33.38 2 6 1 69 343.358 6 ↓

Analogs

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Popular Name: N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine N-[(1R)-1-imidazo[2,1-b][1,3,4]t…

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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) 3.18 8.43 -14.32 1 6 0 68 342.35 6 ↓
Lo Low (pH 4.5-6) 3.18 8.72 -33.35 2 6 1 69 343.358 6 ↓

Analogs

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Popular Name: N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1-(1-naphthylmethyl)triazole-4-carboxamide N-[(2-methylimidazo[2,1-b][1,3,4…

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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) 2.15 -1.42 -19.08 1 8 0 90 403.471 5 ↓
Mid Mid (pH 6-8) 2.15 -1.22 -35.9 2 8 1 91 404.479 5 ↓

Analogs

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Popular Name: 5-(5-methyl-2-furyl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1,2,4-triazin-3-amine 5-(5-methyl-2-furyl)-N-[(2-methy…

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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) 0.61 -1.2 -17.15 1 8 0 94 327.373 4 ↓
Mid Mid (pH 6-8) 0.61 -1.01 -33.66 2 8 1 95 328.381 4 ↓

Analogs

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Popular Name: N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]p N-[(2-methylimidazo[2,1-b][1,3,4…

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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) 1.44 -3.77 -18.51 1 8 0 98 424.53 10 ↓
Mid Mid (pH 6-8) 1.44 -3.58 -39.68 2 8 1 99 425.538 10 ↓

Analogs

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Popular Name: 5-(5-methyl-2-furyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,2,4-triazin-3-amine 5-(5-methyl-2-furyl)-N-[2-(2-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) 1.02 -1.1 -19.36 1 8 0 94 341.4 5 ↓
Mid Mid (pH 6-8) 1.02 -0.9 -35.61 2 8 1 95 342.408 5 ↓

Analogs

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Popular Name: 2-butyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1,3-benzoxazole-5-carboxamide 2-butyl-N-[(2-methylimidazo[2,1-…

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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) 2.87 -3.33 -17.94 1 7 0 85 369.45 6 ↓
Mid Mid (pH 6-8) 2.87 -3.14 -41.59 2 7 1 87 370.458 6 ↓

Analogs

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Popular Name: 5-(2,6-dimethoxyphenyl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1,2,4-triazin-3-ami 5-(2,6-dimethoxyphenyl)-N-[(2-me…

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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) 1.26 -1.38 -18.34 1 9 0 99 383.437 6 ↓
Mid Mid (pH 6-8) 1.26 -1.19 -34.07 2 9 1 101 384.445 6 ↓

Analogs

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Popular Name: 6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole 6-(4-ethylphenyl)imidazo[2,1-b][…

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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) 3.29 7.63 -12.36 0 3 0 30 229.308 2 ↓
Lo Low (pH 4.5-6) 3.29 8.05 -30.14 1 3 1 31 230.316 2 ↓

Analogs

31974475
31974475
34976301
34976301

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Popular Name: 6-(2,5-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole 6-(2,5-dimethylphenyl)imidazo[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) 3.20 7.74 -11.83 0 3 0 30 229.308 1 ↓

Analogs

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Popular Name: N-methyl-1-(6-phenylimidazo[1,2-d][1,3,4]thiadiazol-2-yl)piperidine-4-carboxamide N-methyl-1-(6-phenylimidazo[1,2-…

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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) 2.48 6.79 -16.28 1 6 0 63 341.44 3 ↓
Mid Mid (pH 6-8) 2.48 7.23 -34.01 2 6 1 64 342.448 3 ↓

Analogs

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Popular Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazole 2-[4-[(4-methoxyphenyl)methyl]pi…

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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) 3.94 9.12 -12.14 0 6 0 46 405.527 5 ↓
Mid Mid (pH 6-8) 3.94 11.82 -94.01 2 6 2 48 407.543 5 ↓

Analogs

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Popular Name: 2-[[4-(6-phenylimidazo[1,2-d][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine 2-[[4-(6-phenylimidazo[1,2-d][1,…

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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) 3.49 10.68 -40.51 1 7 1 55 416.534 4 ↓
Mid Mid (pH 6-8) 3.49 12.99 -88.81 2 7 2 56 417.542 4 ↓
Mid Mid (pH 6-8) 3.49 12.99 -122.9 2 7 2 56 417.542 4 ↓

Analogs

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Popular Name: N-phenyl-2-[4-(6-phenylimidazo[1,2-d][1,3,4]thiadiazol-2-yl)piperazin-1-yl]acetamide N-phenyl-2-[4-(6-phenylimidazo[1…

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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) 3.66 9.81 -16 1 7 0 66 418.526 5 ↓
Mid Mid (pH 6-8) 3.66 11.05 -94.97 3 7 2 68 420.542 5 ↓
Lo Low (pH 4.5-6) 3.66 10.26 -31.35 2 7 1 67 419.534 5 ↓

Analogs

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Popular Name: ethyl 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) 3.22 9.32 -15.14 1 7 0 72 371.466 5 ↓
Mid Mid (pH 6-8) 3.22 9.76 -33.88 2 7 1 73 372.474 5 ↓

Analogs

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Popular Name: 1-methyl-4-[4-(6-phenylimidazo[1,2-d][1,3,4]thiadiazol-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine 1-methyl-4-[4-(6-phenylimidazo[1…

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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) 2.46 9.43 -15.28 0 9 0 80 417.502 3 ↓
Mid Mid (pH 6-8) 2.46 9.87 -34.67 1 9 1 82 418.51 3 ↓

Analogs

12538444
12538444

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Popular Name: 4-[2-[4-[(2R)-2-phenylsulfanylpropanoyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonit 4-[2-[4-[(2R)-2-phenylsulfanylpr…

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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) 3.99 12.52 -18.93 0 7 0 78 474.615 5 ↓
Mid Mid (pH 6-8) 3.99 12.96 -47.69 1 7 1 79 475.623 5 ↓

Analogs

12538441
12538441

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Popular Name: 4-[2-[4-[(2S)-2-phenylsulfanylpropanoyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonit 4-[2-[4-[(2S)-2-phenylsulfanylpr…

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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) 3.99 12.69 -18.12 0 7 0 78 474.615 5 ↓
Mid Mid (pH 6-8) 3.99 13.13 -45.24 1 7 1 79 475.623 5 ↓

Analogs

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Popular Name: (Z)-6-((2-cyclopropyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((2-cyclopropyl-6-phenylim…

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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) -2.24 10.63 -58.75 1 7 1 90 433.542 3 ↓

Analogs

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Popular Name: (Z)-6-((2-cyclohexyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((2-cyclohexyl-6-phenylimi…

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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) -0.70 12.35 -57.18 1 7 1 90 475.623 3 ↓

Analogs

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Popular Name: N-[6-(4-chlorophenyl)imidazo[1,2-d][1,3,4]thiadiazol-2-yl]-2-(1-naphthyl)acetamide N-[6-(4-chlorophenyl)imidazo[1,2…

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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) 5.32 12.73 -17.14 1 5 0 59 418.909 4 ↓
Mid Mid (pH 6-8) 5.32 13.17 -36.1 2 5 1 61 419.917 4 ↓

Analogs

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Popular Name: 6-chloro-2-(chloromethylsulfanyl)imidazo[2,1-b][1,3,4]thiadiazole 6-chloro-2-(chloromethylsulfanyl…

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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) 2.81 4.81 -8.04 0 3 0 30 240.14 2 ↓

Analogs

31974153
31974153
31974155
31974155
31974158
31974158

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Popular Name: ethyl 2-ethylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate ethyl 2-ethylimidazo[2,1-b][1,3,…

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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) 1.43 5.58 -10.64 0 5 0 57 225.273 4 ↓

Analogs

31974153
31974153
31974154
31974154
31974155
31974155
31974156
31974156

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Popular Name: ethyl 2-(tert-butyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate ethyl 2-(tert-butyl)imidazo[2,1-…

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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) 2.58 6.67 -9.47 0 5 0 57 253.327 4 ↓

Analogs

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Popular Name: 4-(6-methylimidazo[1,2-d][1,3,4]thiadiazol-2-yl)sulfanylphenol 4-(6-methylimidazo[1,2-d][1,3,4]…

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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) 2.70 4.46 -13.24 1 4 0 50 263.347 2 ↓
Hi High (pH 8-9.5) 2.70 5.24 -42.76 0 4 -1 53 262.339 2 ↓

Analogs

23371062
23371062

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Popular Name: 6-tert-butyl-2-[(3R)-3-(trifluoromethyl)-1-piperidyl]imidazo[2,1-b][1,3,4]thiadiazole 6-tert-butyl-2-[(3R)-3-(trifluor…

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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) 4.57 8.48 -8.92 0 4 0 33 332.395 3 ↓
Lo Low (pH 4.5-6) 4.57 8.88 -25.83 1 4 1 35 333.403 3 ↓

Analogs

23371059
23371059

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Popular Name: 6-tert-butyl-2-[(3S)-3-(trifluoromethyl)-1-piperidyl]imidazo[2,1-b][1,3,4]thiadiazole 6-tert-butyl-2-[(3S)-3-(trifluor…

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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) 4.57 8.45 -7.9 0 4 0 33 332.395 3 ↓
Lo Low (pH 4.5-6) 4.57 8.85 -25.91 1 4 1 35 333.403 3 ↓

Analogs

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Popular Name: 7-[[4-(6-tert-butylimidazo[1,2-d][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]thiazolo[2,3-b]pyrimid 7-[[4-(6-tert-butylimidazo[1,2-d…

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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) 3.25 9.62 -47.07 1 8 1 72 430.583 4 ↓
Mid Mid (pH 6-8) 3.25 7.83 -17.44 0 8 0 71 429.575 4 ↓
Lo Low (pH 4.5-6) 3.25 10.62 -96 2 8 2 73 431.591 4 ↓

Analogs

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Popular Name: 6-tert-butyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[1,2-d][1,3,4]thiadiazol-2-amine 6-tert-butyl-N-[(1-phenylpyrazol…

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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) 3.68 10.23 -14.28 1 6 0 60 352.467 5 ↓
Lo Low (pH 4.5-6) 3.68 10.63 -31.38 2 6 1 61 353.475 5 ↓

Analogs

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Popular Name: 2-[3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin- 2-[3-[(6-tert-butylimidazo[2,1-b…

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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) 3.06 10.06 -18.42 1 8 0 82 371.47 6 ↓
Mid Mid (pH 6-8) 3.06 10.39 -31.85 2 8 1 83 372.478 6 ↓

Analogs

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Popular Name: 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,2,4-triazole-3-carbonitrile 1-[6-(4-fluorophenyl)imidazo[2,1…

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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) 1.74 9.61 -10.48 0 7 0 85 311.305 2 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(E)-cinnamyl]-3-oxo-piperazin-2-yl]-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)meth 2-[(2S)-1-[(E)-cinnamyl]-3-oxo-p…

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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) 2.36 5.9 -20.2 2 8 0 92 424.53 7 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-2-yl]-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)meth 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-p…

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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) 2.36 5.96 -18.13 2 8 0 92 424.53 7 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-2-(1-piperidinyl)imidazo[2,1-b][1,3,4]thiadiazole 6-(4-methoxyphenyl)-2-(1-piperid…

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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) 3.56 -1.71 -10.26 0 5 0 42 314.414 3 ↓
Mid Mid (pH 6-8) 3.56 -1.47 -27.24 1 5 1 43 315.422 3 ↓

Analogs

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Popular Name: (3S)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-3-carboxamide (3S)-1-[6-(4-fluorophenyl)imidaz…

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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) 2.00 5.98 -15.08 2 6 0 77 331.376 3 ↓

Analogs

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Popular Name: (3R)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-3-carboxamide (3R)-1-[6-(4-fluorophenyl)imidaz…

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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) 2.00 5.98 -16.27 2 6 0 77 331.376 3 ↓

Analogs

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Popular Name: N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]methyl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2 N-[[6-(3,4-dihydro-1H-isoquinoli…

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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) 2.90 11.45 -47.02 2 6 1 60 377.497 4 ↓
Mid Mid (pH 6-8) 2.90 11.13 -13.07 1 6 0 58 376.489 4 ↓
Lo Low (pH 4.5-6) 2.90 11.93 -77.95 3 6 2 61 378.505 4 ↓

Analogs

31974192
31974192
31974225
31974225
31974291
31974291
31974326
31974326
31974390
31974390

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Popular Name: 7-butyl-3-(4-nitrophenyl)-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 7-butyl-3-(4-nitrophenyl)-6-thia…

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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) 3.68 1.29 -11.9 0 6 0 76 302.359 5 ↓

Analogs

31974193
31974193
31974226
31974226
31974292
31974292
31974327
31974327
31974390
31974390

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Popular Name: 3-(3-nitrophenyl)-7-pentyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 3-(3-nitrophenyl)-7-pentyl-6-thi…

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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) 4.16 1.41 -16.34 0 6 0 76 316.386 6 ↓

Analogs

31974187
31974187
31974219
31974219
31974320
31974320
31974384
31974384
40964789
40964789

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Popular Name: 7-butyl-3-tetralin-2-yl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 7-butyl-3-tetralin-2-yl-6-thia-1…

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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) 4.90 0.67 -10.45 0 3 0 30 311.454 4 ↓

Analogs

39239028
39239028
39239029
39239029
39239030
39239030
39239031
39239031
39239032
39239032

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Popular Name: 3-phenyl-7-propylsulfanyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene 3-phenyl-7-propylsulfanyl-6-thia…

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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) 3.97 -0.05 -9.59 0 3 0 30 275.402 4 ↓

Analogs

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Popular Name: 2-[4-(2,6-dimethylphenoxy)-1-piperidyl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazole 2-[4-(2,6-dimethylphenoxy)-1-pip…

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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) 3.29 10.97 -11.41 0 5 0 43 342.468 3 ↓
Lo Low (pH 4.5-6) 3.29 11.42 -27.5 1 5 1 44 343.476 3 ↓

Analogs

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Popular Name: 6-methyl-N-[(3R)-1-pyrimidin-2-yl-3-piperidyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(3R)-1-pyrimidin-2-y…

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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 9.04 -14.05 1 7 0 71 315.406 3 ↓
Mid Mid (pH 6-8) 1.73 9.55 -30.42 2 7 1 72 316.414 3 ↓

Analogs

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Popular Name: 6-methyl-N-[(1R)-1-(3-methylbenzofuran-2-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1R)-1-(3-methylbenz…

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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) 3.80 9 -11.35 1 5 0 55 312.398 3 ↓
Mid Mid (pH 6-8) 3.80 9.52 -27.48 2 5 1 57 313.406 3 ↓

Parameters Provided:

ring.id = 7788
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 7788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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