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Analogs

43696196
43696196

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Popular Name: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclopropyl-1-isobutyl-urea 3-(5-tert-butyl-1,3,4-thiadiazol…

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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) 3.33 7.69 -15.36 1 5 0 58 296.44 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-isobutyl-urea 1-cyclopropyl-3-[5-(difluorometh…

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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) 2.17 6.1 -16.07 1 5 0 58 290.339 5 ↓
Hi High (pH 8-9.5) 1.79 4.71 -45.7 0 5 -1 64 289.331 6 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)urea 1-cyclopropyl-3-(5-methylsulfany…

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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) 1.25 2.41 -14.93 2 5 0 67 230.318 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)urea 1-cyclopropyl-3-(5-isopropylsulf…

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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) 1.99 4.06 -14.42 2 5 0 67 258.372 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)urea 1-cyclopropyl-3-(5-prop-2-ynylsu…

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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 3.82 -15.05 2 5 0 67 254.34 4 ↓

Analogs

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Popular Name: 2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-(cyclopropylcarbamoylamino…

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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) -0.02 -0.63 -18.19 4 7 0 110 273.343 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea 1-cyclopropyl-3-(5-ethylsulfanyl…

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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) 1.63 3.29 -14.57 2 5 0 67 244.345 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea 1-cyclopropyl-3-(5-propylsulfany…

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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) 2.13 4.09 -14.36 2 5 0 67 258.372 5 ↓

Analogs

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Popular Name: 1-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-cyclopropyl-urea 1-(5-butylsulfanyl-1,3,4-thiadia…

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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) 2.69 4.87 -14.24 2 5 0 67 272.399 6 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-[5-[(1R)-1-methylpropyl]sulfanyl-1,3,4-thiadiazol-2-yl]urea 1-cyclopropyl-3-[5-[(1R)-1-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) 2.49 4.76 -14.28 2 5 0 67 272.399 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-[5-[(1S)-1-methylpropyl]sulfanyl-1,3,4-thiadiazol-2-yl]urea 1-cyclopropyl-3-[5-[(1S)-1-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) 2.49 4.76 -14.3 2 5 0 67 272.399 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(5-isopentylsulfanyl-1,3,4-thiadiazol-2-yl)urea 1-cyclopropyl-3-(5-isopentylsulf…

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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 5.38 -14.23 2 5 0 67 286.426 6 ↓

Analogs

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Popular Name: 1-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-cyclopropyl-urea 1-(5-allylsulfanyl-1,3,4-thiadia…

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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) 1.89 3.86 -14.45 2 5 0 67 256.356 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) 0.59 2.73 -18.34 3 9 0 122 359.433 9 ↓

Analogs

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Popular Name: 2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-acetamide 2-[[5-(cyclopropylcarbamoylamino…

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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) 1.35 4.76 -17.11 2 7 0 87 329.451 7 ↓

Analogs

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Popular Name: methyl 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) 1.11 3.32 -15.93 2 7 0 93 288.354 6 ↓

Analogs

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Popular Name: 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-cyclopropyl-urea 1-[5-(cyanomethylsulfanyl)-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) 1.03 3.03 -16.45 2 6 0 91 255.328 4 ↓

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) 0.62 5.91 -23.34 2 8 0 110 344.418 9 ↓

Analogs

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Popular Name: 1-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-3-cyclopropyl-urea 1-(5-acetonylsulfanyl-1,3,4-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) 0.79 3.22 -16.95 2 6 0 84 272.355 5 ↓

Analogs

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Popular Name: 2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-(cyclopropylcarbamoylamino…

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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) 0.36 0.85 -18.1 3 7 0 96 287.37 5 ↓

Analogs

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Popular Name: 2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide 2-[[5-(cyclopropylcarbamoylamino…

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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) 1.23 2.46 -17.42 3 7 0 96 315.424 7 ↓

Analogs

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Popular Name: 2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-isopropyl-acetamide 2-[[5-(cyclopropylcarbamoylamino…

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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) 1.03 2.5 -17.5 3 7 0 96 315.424 6 ↓

Analogs

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Popular Name: N-tert-butyl-2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-tert-butyl-2-[[5-(cyclopropylc…

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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) 1.54 3 -16.91 3 7 0 96 329.451 6 ↓

Analogs

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Popular Name: 2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide 2-[[5-(cyclopropylcarbamoylamino…

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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) 0.34 0.77 -18.13 3 8 0 105 331.423 8 ↓

Analogs

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Popular Name: 2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diisopropyl-acetamide 2-[[5-(cyclopropylcarbamoylamino…

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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) 1.95 5.39 -16.55 2 7 0 87 357.505 7 ↓

Analogs

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Popular Name: N-allyl-2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-allyl-2-[[5-(cyclopropylcarbam…

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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) 1.00 2.25 -17.3 3 7 0 96 313.408 7 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-urea 1-cyclopropyl-3-(5-isopropyl-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) 1.54 5.26 -16.92 1 5 0 58 240.332 3 ↓
Hi High (pH 8-9.5) 1.17 3.94 -50.06 0 5 -1 64 239.324 4 ↓

Parameters Provided:

ring.id = 546711
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 = 546711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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