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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2791954
2791954
2792275
2792275
2792696
2792696
2792737
2792737
2793083
2793083

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Popular Name: 3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazole-5-th 3-[3-(1,1,2,2-tetrafluoroethoxy)…

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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) 3.17 8.55 -12.05 1 5 0 52 377.363 6 ↓
Mid Mid (pH 6-8) 3.89 8.95 -49.94 0 5 -1 49 376.355 6 ↓

Analogs

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Popular Name: 3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazole-5-th 3-[3-(1,1,2,2-tetrafluoroethoxy)…

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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) 3.17 8.51 -13.59 1 5 0 52 377.363 6 ↓
Mid Mid (pH 6-8) 3.89 8.58 -52.92 0 5 -1 49 376.355 6 ↓

Analogs

13535280
13535280
13535284
13535284

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Popular Name: 3-[4-(difluoromethoxy)-3-ethoxy-phenyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazole-5-th 3-[4-(difluoromethoxy)-3-ethoxy-…

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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) 2.52 8.21 -16.11 1 6 0 61 371.409 7 ↓
Mid Mid (pH 6-8) 3.24 8.05 -52.51 0 6 -1 58 370.401 7 ↓

Analogs

13535280
13535280
13535284
13535284

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(difluoromethoxy)-3-ethoxy-phenyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazole-5-th 3-[4-(difluoromethoxy)-3-ethoxy-…

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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) 2.52 8.35 -14.16 1 6 0 61 371.409 7 ↓
Mid Mid (pH 6-8) 3.24 8.19 -50.43 0 6 -1 58 370.401 7 ↓

Analogs

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Popular Name: 5-(4-fluorophenyl)-2-[[methyl(propyl)amino]methyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triaz 5-(4-fluorophenyl)-2-[[methyl(pr…

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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 12.74 -37.99 1 5 1 36 365.498 7 ↓
Hi High (pH 8-9.5) 3.06 10.26 -13.18 0 5 0 35 364.49 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-fluorophenyl)-2-[[methyl(propyl)amino]methyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triaz 5-(4-fluorophenyl)-2-[[methyl(pr…

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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 12.75 -36.82 1 5 1 36 365.498 7 ↓
Hi High (pH 8-9.5) 3.06 10.25 -11.01 0 5 0 35 364.49 7 ↓

Parameters Provided:

ring.id = 165374
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 = 165374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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