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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 2.27 4.56 -49.88 1 7 -1 103 348.335 5 ↓
Lo Low (pH 4.5-6) 2.27 4.11 -14.12 2 7 0 101 349.343 5 ↓

Analogs

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Popular Name: 5-bromo-N-(1H-indazol-4-yl)-2-methyl-benzenesulfonamide 5-bromo-N-(1H-indazol-4-yl)-2-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) 3.53 4.51 -41.58 1 5 -1 77 365.232 3 ↓
Mid Mid (pH 6-8) 3.53 4.51 -10.5 2 5 0 75 366.24 3 ↓

Analogs

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Popular Name: 2-bromo-N-(1H-indazol-4-yl)-4-methyl-benzenesulfonamide 2-bromo-N-(1H-indazol-4-yl)-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) 3.53 4.48 -44.02 1 5 -1 77 365.232 3 ↓
Lo Low (pH 4.5-6) 3.53 4.01 -12 2 5 0 75 366.24 3 ↓

Analogs

7050495
7050495

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Popular Name: 4-bromo-N-(1H-indazol-4-yl)-3-methyl-benzenesulfonamide 4-bromo-N-(1H-indazol-4-yl)-3-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) 3.53 4.28 -40.1 1 5 -1 77 365.232 3 ↓
Mid Mid (pH 6-8) 3.53 4.21 -9.98 2 5 0 75 366.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-(1H-indazol-4-yl)benzenesulfonamide 2-bromo-N-(1H-indazol-4-yl)benze…

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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) 3.11 3.82 -44.33 1 5 -1 77 351.205 3 ↓
Lo Low (pH 4.5-6) 3.11 3.35 -12.55 2 5 0 75 352.213 3 ↓

Analogs

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Popular Name: 3-bromo-N-(1H-indazol-4-yl)benzenesulfonamide 3-bromo-N-(1H-indazol-4-yl)benze…

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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) 3.13 3.72 -41.83 1 5 -1 77 351.205 3 ↓
Lo Low (pH 4.5-6) 3.13 3.64 -10.38 2 5 0 75 352.213 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1H-indazol-4-yl)-3-methyl-benzenesulfonamide N-(1H-indazol-4-yl)-3-methyl-ben…

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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) 2.77 3.69 -10.76 2 5 0 75 287.344 3 ↓
Mid Mid (pH 6-8) 2.77 3.88 -48.24 1 5 -1 77 286.336 3 ↓

Parameters Provided:

ring.id = 431131
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 = 431131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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