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

36300235
36300235

Draw Identity 99% 90% 80% 70%

Popular Name: 4-iodo-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide 4-iodo-N-[3-(4-methylpiperazin-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) 2.28 4.33 -41.96 2 5 1 54 424.328 6 ↓
Hi High (pH 8-9.5) 2.28 1.86 -9.39 1 5 0 53 423.32 6 ↓
Mid Mid (pH 6-8) 2.28 4.2 -46.99 2 5 1 54 424.328 6 ↓

Analogs

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Popular Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-nitro-benzenesulfonamide N-[3-(4-methylpiperazin-1-yl)pro…

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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) 1.11 4.66 -45.64 2 8 1 100 343.429 7 ↓
Hi High (pH 8-9.5) 1.11 2.19 -14.27 1 8 0 98 342.421 7 ↓
Mid Mid (pH 6-8) 1.11 4.53 -48.43 2 8 1 100 343.429 7 ↓

Analogs

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Popular Name: 2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-benzenesulfonamide 2-methyl-N-[3-(4-methylpiperazin…

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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) 1.53 4.79 -48.14 2 8 1 100 357.456 7 ↓
Hi High (pH 8-9.5) 1.53 2.33 -15.45 1 8 0 98 356.448 7 ↓
Mid Mid (pH 6-8) 1.53 4.66 -54.47 2 8 1 100 357.456 7 ↓

Analogs

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Popular Name: 2,3-difluoro-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide 2,3-difluoro-N-methyl-N-[3-(4-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) 1.67 4.94 -42.83 1 5 1 45 348.439 6 ↓
Hi High (pH 8-9.5) 1.67 2.56 -11.74 0 5 0 44 347.431 6 ↓

Analogs

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Popular Name: 2,6-difluoro-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide 2,6-difluoro-N-methyl-N-[3-(4-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) 1.67 5.04 -45.66 1 5 1 45 348.439 6 ↓
Hi High (pH 8-9.5) 1.67 2.67 -11.82 0 5 0 44 347.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide 2,5-difluoro-N-methyl-N-[3-(4-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) 1.70 4.95 -40.65 1 5 1 45 348.439 6 ↓
Hi High (pH 8-9.5) 1.70 2.58 -10.16 0 5 0 44 347.431 6 ↓

Analogs

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Popular Name: 3,4-difluoro-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide 3,4-difluoro-N-methyl-N-[3-(4-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) 1.70 4.93 -42.71 1 5 1 45 348.439 6 ↓
Hi High (pH 8-9.5) 1.70 2.56 -8.93 0 5 0 44 347.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide 2,4-difluoro-N-methyl-N-[3-(4-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) 1.70 4.95 -40.49 1 5 1 45 348.439 6 ↓
Hi High (pH 8-9.5) 1.70 2.58 -9.1 0 5 0 44 347.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide 3,5-dimethyl-N-(3-piperazin-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) 1.43 2.13 -46.09 3 5 1 66 312.459 6 ↓

Parameters Provided:

ring.id = 141084
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 = 141084 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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