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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: 1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine 1-[3-methoxy-4-[(3-nitrophenyl)m…

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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) 2.07 10.81 -18.28 0 9 0 107 353.338 7 ↓

Analogs

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Popular Name: (E)-[4-(2,6-dichlorobenzyl)oxy-3-methoxy-benzylidene]-(1,2,4-triazol-4-yl)amine (E)-[4-(2,6-dichlorobenzyl)oxy-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) 3.40 3.75 -14.26 0 6 0 61 377.231 6 ↓

Analogs

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Popular Name: (E)-[3-methoxy-4-(2,3,6-trichlorobenzyl)oxy-benzylidene]-(1,2,4-triazol-4-yl)amine (E)-[3-methoxy-4-(2,3,6-trichlor…

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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) 4.03 3.62 -13.91 0 6 0 61 411.676 6 ↓

Analogs

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Popular Name: (E)-[4-(4-bromobenzyl)oxy-3-ethoxy-benzylidene]-(1,2,4-triazol-4-yl)amine (E)-[4-(4-bromobenzyl)oxy-3-etho…

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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) 3.32 3.32 -13.78 0 6 0 61 401.264 7 ↓

Analogs

41214194
41214194
1280878
1280878
1280879
1280879

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Popular Name: (E)-[3-ethoxy-4-(4-methylbenzyl)oxy-benzylidene]-(1,2,4-triazol-4-yl)amine (E)-[3-ethoxy-4-(4-methylbenzyl)…

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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) 2.96 4.4 -13.82 0 6 0 61 336.395 7 ↓

Analogs

8182997
8182997

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Popular Name: 4-[(E)-[4-(4-bromobenzyl)oxy-3-ethoxy-benzylidene]amino]-5-propyl-1,2,4-triazole-3-thiolate 4-[(E)-[4-(4-bromobenzyl)oxy-3-e…

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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) 5.20 13.71 -49.48 0 6 -1 62 474.404 9 ↓
Mid Mid (pH 6-8) 4.47 13.86 -16.59 1 6 0 64 475.412 9 ↓

Analogs

3273821
3273821

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Popular Name: (E)-[4-(4-chlorobenzyl)oxy-3-ethoxy-benzylidene]-(1,2,4-triazol-4-yl)amine (E)-[4-(4-chlorobenzyl)oxy-3-eth…

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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) 3.19 3.93 -13.82 0 6 0 61 356.813 7 ↓

Analogs

2791020
2791020

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Popular Name: (E)-(4-benzoxy-3-methoxy-benzylidene)-[3-(difluoromethyl)-5-(methylthio)-1,2,4-triazol-4-yl]amine (E)-(4-benzoxy-3-methoxy-benzyli…

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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) 3.70 4.04 -12.88 0 6 0 61 404.442 8 ↓

Analogs

2791020
2791020

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Popular Name: (E)-[4-(3,4-diethoxybenzyl)oxybenzylidene]-[3-(difluoromethyl)-5-(methylthio)-1,2,4-triazol-4-yl]ami (E)-[4-(3,4-diethoxybenzyl)oxybe…

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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) 4.51 12.77 -14.84 0 7 0 71 462.522 11 ↓

Analogs

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Popular Name: (E)-[3-(difluoromethyl)-5-(methylthio)-1,2,4-triazol-4-yl]-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylide (E)-[3-(difluoromethyl)-5-(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) 3.66 12.27 -17.53 0 9 0 107 449.439 9 ↓

Analogs

2792056
2792056

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Popular Name: 5-[chloro(difluoro)methyl]-4-[(E)-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]amino]-1,2,4-triazole- 5-[chloro(difluoro)methyl]-4-[(E…

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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) 4.12 12.24 -45.09 0 9 -1 107 468.849 8 ↓
Lo Low (pH 4.5-6) 3.39 12.4 -18.78 1 9 0 110 469.857 8 ↓

Analogs

4136561
4136561
4136565
4136565
1137834
1137834

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-[4-(3,4-diethoxybenzyl)oxybenzylidene]amino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiolate 4-[(E)-[4-(3,4-diethoxybenzyl)ox…

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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) 4.66 12.22 -44.63 0 7 -1 71 465.477 10 ↓

Analogs

2791998
2791998

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(difluoromethyl)-4-[(E)-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]amino]-1,2,4-triazole-3-thiola 5-(difluoromethyl)-4-[(E)-[3-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) 3.45 11.81 -50.27 0 9 -1 107 434.404 8 ↓
Lo Low (pH 4.5-6) 2.73 11.97 -23.78 1 9 0 110 435.412 8 ↓

Analogs

1280878
1280878
1280879
1280879
842737
842737

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-benzyloxy-3-ethoxy-phenyl)-N-(1,2,4-triazol-4-yl)methanimine 1-(4-benzyloxy-3-ethoxy-phenyl)-…

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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) 2.51 12.06 -13.8 0 6 0 62 322.368 7 ↓

Parameters Provided:

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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 = 197692 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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