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

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-piperazin-1-yl-5-propyl-4,5,6,7-tetrahydro-2H-indazole (5R)-3-piperazin-1-yl-5-propyl-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) 2.31 6.26 -42.82 3 4 1 49 249.382 3 ↓
Hi High (pH 8-9.5) 2.31 4.95 -6.39 2 4 0 44 248.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-piperazin-1-yl-5-propyl-4,5,6,7-tetrahydro-2H-indazole (5S)-3-piperazin-1-yl-5-propyl-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) 2.31 6.26 -42.79 3 4 1 49 249.382 3 ↓
Hi High (pH 8-9.5) 2.31 4.95 -6.38 2 4 0 44 248.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5R)-5-tert-butyl-3-piperazin-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) 2.57 6.31 -43.19 3 4 1 49 263.409 2 ↓
Hi High (pH 8-9.5) 2.57 5 -6.23 2 4 0 44 262.401 2 ↓
Mid Mid (pH 6-8) 2.57 6.5 -90.07 4 4 2 50 264.417 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5S)-5-tert-butyl-3-piperazin-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) 2.57 6.31 -43.18 3 4 1 49 263.409 2 ↓
Hi High (pH 8-9.5) 2.57 5 -6.26 2 4 0 44 262.401 2 ↓
Mid Mid (pH 6-8) 2.57 6.5 -90.11 4 4 2 50 264.417 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole 3-piperazin-1-yl-4,5,6,7-tetrahy…

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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) 1.02 4.26 -42.87 3 4 1 49 207.301 1 ↓
Hi High (pH 8-9.5) 1.02 2.95 -6.78 2 4 0 44 206.293 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5R)-5-methyl-3-piperazin-1-yl-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) 1.25 4.86 -42.73 3 4 1 49 221.328 1 ↓
Hi High (pH 8-9.5) 1.25 3.55 -6.56 2 4 0 44 220.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5S)-5-methyl-3-piperazin-1-yl-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) 1.25 4.85 -42.7 3 4 1 49 221.328 1 ↓
Hi High (pH 8-9.5) 1.25 3.55 -6.57 2 4 0 44 220.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-7-isopropyl-4-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (4R,7R)-7-isopropyl-4-methyl-3-p…

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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) 2.01 6.12 -42.22 3 4 1 49 263.409 2 ↓
Hi High (pH 8-9.5) 2.01 4.82 -5.9 2 4 0 44 262.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-7-isopropyl-4-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (4S,7R)-7-isopropyl-4-methyl-3-p…

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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) 2.01 6.94 -39.85 3 4 1 49 263.409 2 ↓
Hi High (pH 8-9.5) 2.01 5.64 -4.78 2 4 0 44 262.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-7-isopropyl-4-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (4R,7S)-7-isopropyl-4-methyl-3-p…

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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) 2.01 6.88 -39.97 3 4 1 49 263.409 2 ↓
Hi High (pH 8-9.5) 2.01 5.58 -4.77 2 4 0 44 262.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-7-isopropyl-4-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (4S,7S)-7-isopropyl-4-methyl-3-p…

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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) 2.01 6.12 -42.28 3 4 1 49 263.409 2 ↓
Hi High (pH 8-9.5) 2.01 4.81 -5.9 2 4 0 44 262.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(1,1-dimethylpropyl)-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5R)-5-(1,1-dimethylpropyl)-3-pi…

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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) 2.91 6.79 -43.24 3 4 1 49 277.436 3 ↓
Hi High (pH 8-9.5) 2.91 5.49 -6.15 2 4 0 44 276.428 3 ↓
Mid Mid (pH 6-8) 2.91 6.98 -90.25 4 4 2 50 278.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(1,1-dimethylpropyl)-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5S)-5-(1,1-dimethylpropyl)-3-pi…

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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) 2.91 6.79 -43.23 3 4 1 49 277.436 3 ↓
Hi High (pH 8-9.5) 2.91 5.48 -6.15 2 4 0 44 276.428 3 ↓
Mid Mid (pH 6-8) 2.91 6.98 -90.24 4 4 2 50 278.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-ethyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5R)-5-ethyl-3-piperazin-1-yl-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) 1.75 5.49 -42.72 3 4 1 49 235.355 2 ↓
Hi High (pH 8-9.5) 1.75 4.19 -6.43 2 4 0 44 234.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-ethyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5S)-5-ethyl-3-piperazin-1-yl-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) 1.75 5.49 -42.78 3 4 1 49 235.355 2 ↓
Hi High (pH 8-9.5) 1.75 4.2 -6.44 2 4 0 44 234.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (7R)-7-methyl-3-piperazin-1-yl-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) 1.34 4.84 -42.62 3 4 1 49 221.328 1 ↓
Hi High (pH 8-9.5) 1.34 3.53 -6.41 2 4 0 44 220.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-methyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (7S)-7-methyl-3-piperazin-1-yl-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) 1.34 4.84 -42.59 3 4 1 49 221.328 1 ↓
Hi High (pH 8-9.5) 1.34 3.53 -6.41 2 4 0 44 220.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-tert-butyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (7S)-7-tert-butyl-3-piperazin-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) 2.51 6.4 -42.05 3 4 1 49 263.409 2 ↓
Hi High (pH 8-9.5) 2.51 5.09 -6.05 2 4 0 44 262.401 2 ↓
Lo Low (pH 4.5-6) 2.51 6.62 -87.5 4 4 2 50 264.417 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-tert-butyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (7R)-7-tert-butyl-3-piperazin-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) 2.51 6.41 -42 3 4 1 49 263.409 2 ↓
Hi High (pH 8-9.5) 2.51 5.11 -5.94 2 4 0 44 262.401 2 ↓
Lo Low (pH 4.5-6) 2.51 6.64 -87.58 4 4 2 50 264.417 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-isopropyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5R)-5-isopropyl-3-piperazin-1-y…

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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) 2.75 6 -43.05 3 4 1 49 249.382 2 ↓
Hi High (pH 8-9.5) 2.75 4.7 -6.33 2 4 0 44 248.374 2 ↓
Mid Mid (pH 6-8) 2.75 6.2 -89.41 4 4 2 50 250.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-isopropyl-3-piperazin-1-yl-4,5,6,7-tetrahydro-2H-indazole (5S)-5-isopropyl-3-piperazin-1-y…

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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) 2.75 6 -43.02 3 4 1 49 249.382 2 ↓
Hi High (pH 8-9.5) 2.75 4.69 -6.38 2 4 0 44 248.374 2 ↓
Mid Mid (pH 6-8) 2.75 6.2 -89.4 4 4 2 50 250.39 2 ↓

Parameters Provided:

ring.id = 268233
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 = 268233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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