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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide 2-[(4-amino-5-cyclopropyl-1,2,4-…

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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) 1.68 9.07 -22.72 3 10 0 145 417.476 7 ↓
Hi High (pH 8-9.5) 1.87 8.01 -52.6 2 10 -1 151 416.468 7 ↓

Analogs

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Popular Name: 3-[3-cyclopropyl-5-[2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-y 3-[3-cyclopropyl-5-[2-[[4-(4-flu…

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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) 1.53 7.94 -20.66 3 8 0 116 446.533 9 ↓
Hi High (pH 8-9.5) 1.71 6.87 -48.41 2 8 -1 122 445.525 9 ↓

Analogs

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Popular Name: 3-[3-cyclopropyl-5-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)thiazol-2-yl]amino]ethyl]sulfanyl-1,2,4-triaz 3-[3-cyclopropyl-5-[2-oxo-2-[[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) 2.57 9.79 -20.35 3 8 0 116 470.624 9 ↓
Hi High (pH 8-9.5) 2.75 8.72 -51.49 2 8 -1 122 469.616 9 ↓

Analogs

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Popular Name: 3-[3-cyclopropyl-5-[2-[[4-(3,4-dimethylphenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol 3-[3-cyclopropyl-5-[2-[[4-(3,4-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) 2.19 9.2 -21.03 3 8 0 116 456.597 9 ↓
Hi High (pH 8-9.5) 2.37 8.14 -52.77 2 8 -1 122 455.589 9 ↓

Analogs

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Popular Name: 3-[3-cyclopropyl-5-[2-oxo-2-[[4-(4-propylphenyl)thiazol-2-yl]amino]ethyl]sulfanyl-1,2,4-triazol-4-yl 3-[3-cyclopropyl-5-[2-oxo-2-[[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) 2.67 10.08 -20.42 3 8 0 116 470.624 11 ↓
Hi High (pH 8-9.5) 2.85 9.01 -51.53 2 8 -1 122 469.616 11 ↓

Analogs

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Popular Name: 3-[3-cyclopropyl-5-[2-[[4-(2,5-difluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol 3-[3-cyclopropyl-5-[2-[[4-(2,5-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) 1.62 7.91 -20.34 3 8 0 116 464.523 9 ↓
Hi High (pH 8-9.5) 1.81 6.85 -51.13 2 8 -1 122 463.515 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-cyclopropyl-5-[2-[[4-(3,4-difluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol 3-[3-cyclopropyl-5-[2-[[4-(3,4-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) 1.62 7.99 -20.89 3 8 0 116 464.523 9 ↓
Hi High (pH 8-9.5) 1.81 6.93 -45.58 2 8 -1 122 463.515 9 ↓

Analogs

23364297
23364297
25450234
25450234

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Popular Name: (2R)-2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylthiazol-2-yl (2R)-2-[[4-(3-amino-3-oxo-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) 1.73 8.57 -20.01 3 8 0 116 442.57 9 ↓

Analogs

25450234
25450234
23364294
23364294

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Popular Name: (2S)-2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylthiazol-2-yl (2S)-2-[[4-(3-amino-3-oxo-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) 1.73 8.57 -20.04 3 8 0 116 442.57 9 ↓

Parameters Provided:

ring.id = 59166
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 = 59166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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