UCSF
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Analogs

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Popular Name: N-[(1R)-3-(dimethylamino)-1-methyl-propyl]-N'-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]oxamide N-[(1R)-3-(dimethylamino)-1-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) 1.08 5.29 -45.37 3 7 1 88 354.481 7 ↓

Analogs

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Popular Name: N-(5-methoxypentyl)-N'-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]oxamide N-(5-methoxypentyl)-N'-[5-(3-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) 1.48 3.61 -12.78 2 7 0 93 354.457 9 ↓

Analogs

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Popular Name: N-tert-butyl-2-[[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]acetamide N-tert-butyl-2-[[5-(3-thienyl)-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 3.04 -15.9 3 7 0 96 339.446 5 ↓
Mid Mid (pH 6-8) 2.09 1.25 -49.53 2 7 -1 102 338.438 6 ↓

Analogs

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Popular Name: N-propyl-3-[[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanamide N-propyl-3-[[5-(3-thienyl)-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) 1.92 3.13 -26.09 3 7 0 96 339.446 7 ↓
Mid Mid (pH 6-8) 1.55 1.34 -57.93 2 7 -1 102 338.438 8 ↓

Analogs

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Popular Name: 1-(3-butoxypropyl)-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-(3-butoxypropyl)-3-[5-(3-thien…

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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) 3.36 5.62 -16.33 2 6 0 76 340.474 9 ↓
Mid Mid (pH 6-8) 2.99 3.83 -47.85 1 6 -1 82 339.466 10 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.53 3.66 -15.99 2 7 0 93 340.43 6 ↓

Analogs

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Popular Name: 1-[(1S)-1-ethyl-2-methyl-propyl]-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-[(1S)-1-ethyl-2-methyl-propyl]…

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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 5.92 -15.43 2 5 0 67 310.448 5 ↓

Analogs

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Popular Name: 1-[(1R)-1-ethyl-2-methyl-propyl]-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-[(1R)-1-ethyl-2-methyl-propyl]…

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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 5.62 -15.16 2 5 0 67 310.448 5 ↓

Analogs

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Popular Name: 4-[[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]butanamide 4-[[5-(3-thienyl)-1,3,4-thiadiaz…

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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) 0.94 0.84 -20.71 4 7 0 110 311.392 6 ↓

Analogs

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Popular Name: 1-methyl-1-[(1R)-1-methylpropyl]-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-methyl-1-[(1R)-1-methylpropyl]…

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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) 3.12 7.21 -16.71 1 5 0 58 296.421 4 ↓
Hi High (pH 8-9.5) 2.75 5.68 -51.31 0 5 -1 64 295.413 5 ↓

Analogs

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Popular Name: 1-methyl-1-[(1S)-1-methylpropyl]-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-methyl-1-[(1S)-1-methylpropyl]…

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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) 3.12 7.2 -16.66 1 5 0 58 296.421 4 ↓
Hi High (pH 8-9.5) 2.75 5.67 -51.34 0 5 -1 64 295.413 5 ↓

Analogs

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Popular Name: 1-(3,3-dimethylbutyl)-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-(3,3-dimethylbutyl)-3-[5-(3-th…

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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) 3.64 5.66 -15.99 2 5 0 67 310.448 5 ↓

Analogs

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Popular Name: 1-isopentyl-1-methyl-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-isopentyl-1-methyl-3-[5-(3-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) 3.57 7.66 -16.93 1 5 0 58 310.448 5 ↓
Hi High (pH 8-9.5) 3.20 6.12 -50.87 0 5 -1 64 309.44 6 ↓

Analogs

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Popular Name: 1-(2-hydroxyethyl)-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-(2-hydroxyethyl)-3-[5-(3-thien…

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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) 1.04 -0.09 -17.82 3 6 0 87 270.339 4 ↓

Analogs

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Popular Name: 1-(2-bromoallyl)-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-(2-bromoallyl)-3-[5-(3-thienyl…

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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) 2.78 4.41 -15.08 2 5 0 67 345.247 4 ↓

Analogs

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Popular Name: 1-(3-methoxypropyl)-1-methyl-3-[5-(3-thienyl)-1,3,4-thiadiazol-2-yl]urea 1-(3-methoxypropyl)-1-methyl-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) 2.17 5.44 -18.77 1 6 0 67 312.42 6 ↓
Hi High (pH 8-9.5) 1.80 3.91 -52.25 0 6 -1 74 311.412 7 ↓

Parameters Provided:

ring.id = 129482
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 = 129482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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