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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: (2E)-6-hydroxy-4-methyl-2-[(1-methylindol-3-yl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]ben (2E)-6-hydroxy-4-methyl-2-[(1-me…

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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) 4.21 11.28 -35.84 2 7 1 76 481.576 4 ↓
Hi High (pH 8-9.5) 4.21 11.69 -47.58 0 7 -1 78 479.56 4 ↓
Mid Mid (pH 6-8) 4.21 12.03 -53.92 1 7 0 79 480.568 4 ↓

Analogs

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Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benz (2E)-2-[(1-ethylindol-3-yl)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) 4.59 12.2 -35.38 2 7 1 76 495.603 5 ↓
Hi High (pH 8-9.5) 4.59 12.61 -47.68 0 7 -1 78 493.587 5 ↓
Mid Mid (pH 6-8) 4.59 12.95 -54.17 1 7 0 79 494.595 5 ↓

Analogs

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Popular Name: (2E)-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl (2E)-6-hydroxy-2-[(5-methoxy-1-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) 4.25 10.56 -36.92 2 8 1 85 511.602 5 ↓
Hi High (pH 8-9.5) 4.25 10.98 -49.5 0 8 -1 87 509.586 5 ↓
Mid Mid (pH 6-8) 4.25 11.32 -55.32 1 8 0 88 510.594 5 ↓

Analogs

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Popular Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl] (2E)-2-[(1-ethyl-5-methoxy-indol…

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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) 4.62 11.49 -35.27 2 8 1 85 525.629 6 ↓
Hi High (pH 8-9.5) 4.62 11.91 -49.25 0 8 -1 87 523.613 6 ↓
Mid Mid (pH 6-8) 4.62 12.26 -54.24 1 8 0 88 524.621 6 ↓

Analogs

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Popular Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3 (2E)-6-hydroxy-2-[(1-methylindol…

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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) 3.84 10.64 -36.15 2 7 1 76 467.549 4 ↓
Hi High (pH 8-9.5) 3.84 11.05 -46.67 0 7 -1 78 465.533 4 ↓
Mid Mid (pH 6-8) 3.84 10.3 -12.2 1 7 0 75 466.541 4 ↓

Analogs

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Popular Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3- (2E)-2-[(1-ethylindol-3-yl)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) 4.21 11.56 -35.73 2 7 1 76 481.576 5 ↓
Hi High (pH 8-9.5) 4.21 11.97 -46.74 0 7 -1 78 479.56 5 ↓
Mid Mid (pH 6-8) 4.21 13.78 -103.18 3 7 2 77 482.584 5 ↓

Analogs

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Popular Name: (2E)-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]b (2E)-6-hydroxy-2-[(5-methoxy-1-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) 3.87 9.93 -36 2 8 1 85 497.575 5 ↓
Hi High (pH 8-9.5) 3.87 10.34 -48.28 0 8 -1 87 495.559 5 ↓
Mid Mid (pH 6-8) 3.87 12.14 -102.43 3 8 2 86 498.583 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]be (2E)-2-[(1-ethyl-5-methoxy-indol…

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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) 4.25 10.84 -35.58 2 8 1 85 511.602 6 ↓
Hi High (pH 8-9.5) 4.25 11.27 -48.32 0 8 -1 87 509.586 6 ↓
Mid Mid (pH 6-8) 4.25 10.5 -13.22 1 8 0 84 510.594 6 ↓

Parameters Provided:

ring.id = 550351
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 = 550351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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