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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: N-methyl-N-[1-[(6-nitroindazol-1-yl)methyl]-4-piperidyl]ethanesulfonamide N-methyl-N-[1-[(6-nitroindazol-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) 1.82 5.11 -14.92 0 9 0 104 381.458 6 ↓
Lo Low (pH 4.5-6) 1.82 7.35 -53.59 1 9 1 105 382.466 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[1-[(6-nitroindazol-1-yl)methyl]-4-piperidyl]methanesulfonamide N-ethyl-N-[1-[(6-nitroindazol-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) 1.82 5.39 -16.25 0 9 0 104 381.458 6 ↓
Lo Low (pH 4.5-6) 1.82 7.69 -56.87 1 9 1 105 382.466 6 ↓

Analogs

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Popular Name: 4-bromo-1-[(4-methoxy-1-piperidyl)methyl]indazole 4-bromo-1-[(4-methoxy-1-piperidy…

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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) 2.11 5.44 -7.67 0 4 0 30 324.222 3 ↓
Mid Mid (pH 6-8) 2.11 7.67 -41.35 1 4 1 31 325.23 3 ↓

Analogs

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Popular Name: N-[(3R)-1-[(5-nitroindazol-1-yl)methyl]-3-piperidyl]methanesulfonamide N-[(3R)-1-[(5-nitroindazol-1-yl)…

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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) 1.20 2.44 -17.68 1 9 0 113 353.404 5 ↓
Mid Mid (pH 6-8) 1.20 4.68 -60.27 2 9 1 114 354.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-[(5-nitroindazol-1-yl)methyl]-3-piperidyl]methanesulfonamide N-[(3S)-1-[(5-nitroindazol-1-yl)…

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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) 1.20 2.97 -17.92 1 9 0 113 353.404 5 ↓
Mid Mid (pH 6-8) 1.20 5.26 -66.24 2 9 1 114 354.412 5 ↓

Analogs

42095254
42095254

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Popular Name: 1-[[(3R)-3-ethyl-1-piperidyl]methyl]-5-nitro-indazole 1-[[(3R)-3-ethyl-1-piperidyl]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) 3.30 10.02 -46.3 1 6 1 68 289.359 4 ↓
Mid Mid (pH 6-8) 3.30 7.77 -7.54 0 6 0 67 288.351 4 ↓

Analogs

42095252
42095252

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Popular Name: 1-[[(3S)-3-ethyl-1-piperidyl]methyl]-5-nitro-indazole 1-[[(3S)-3-ethyl-1-piperidyl]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) 3.30 10.54 -46.68 1 6 1 68 289.359 4 ↓
Mid Mid (pH 6-8) 3.30 8.24 -7.32 0 6 0 67 288.351 4 ↓

Analogs

42108620
42108620

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Popular Name: N-[[(3R)-1-[(5-nitroindazol-1-yl)methyl]-3-piperidyl]methyl]methanesulfonamide N-[[(3R)-1-[(5-nitroindazol-1-yl…

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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) 1.58 3.3 -17.81 1 9 0 113 367.431 6 ↓
Mid Mid (pH 6-8) 1.58 5.55 -62.24 2 9 1 114 368.439 6 ↓

Analogs

42108618
42108618

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Popular Name: N-[[(3S)-1-[(5-nitroindazol-1-yl)methyl]-3-piperidyl]methyl]methanesulfonamide N-[[(3S)-1-[(5-nitroindazol-1-yl…

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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) 1.58 3.77 -17.93 1 9 0 113 367.431 6 ↓
Mid Mid (pH 6-8) 1.58 6.05 -61.49 2 9 1 114 368.439 6 ↓

Parameters Provided:

ring.id = 188800
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 = 188800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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