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

1020473
1020473

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Popular Name: 5-bromo-N-(5-bromothiazol-2-yl)pyridine-3-sulfonamide 5-bromo-N-(5-bromothiazol-2-yl)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) 2.57 2.19 -35.85 0 5 -1 74 398.081 3 ↓
Lo Low (pH 4.5-6) 3.50 2.76 -8.57 1 5 0 75 399.089 2 ↓

Analogs

1020473
1020473

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Popular Name: 5-bromo-N-thiazol-2-yl-pyridine-3-sulfonamide 5-bromo-N-thiazol-2-yl-pyridine-…

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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) 1.64 1.45 -39.88 0 5 -1 74 319.185 3 ↓
Mid Mid (pH 6-8) 1.64 1.66 -9.96 1 5 0 72 320.193 3 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-6-(ethylamino)pyridine-3-sulfonamide N-(5-bromothiazol-2-yl)-6-(ethyl…

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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) 2.19 2.04 -41.4 1 6 -1 86 362.254 5 ↓
Mid Mid (pH 6-8) 2.19 2.52 -40.52 2 6 0 87 363.262 5 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide N-(5-bromothiazol-2-yl)-6-(propy…

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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) 2.70 2.8 -40.98 1 6 -1 86 376.281 6 ↓
Mid Mid (pH 6-8) 2.70 3.29 -40.46 2 6 0 87 377.289 6 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide N-(5-bromothiazol-2-yl)-2-(ethyl…

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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) 1.98 2.76 -42.11 1 6 -1 86 362.254 5 ↓
Mid Mid (pH 6-8) 1.98 3.13 -45.31 2 6 0 87 363.262 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromothiazol-2-yl)-2-(propylamino)pyridine-3-sulfonamide N-(5-bromothiazol-2-yl)-2-(propy…

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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) 2.48 3.53 -42.05 1 6 -1 86 376.281 6 ↓
Mid Mid (pH 6-8) 2.48 3.89 -45.04 2 6 0 87 377.289 6 ↓

Analogs

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Popular Name: 5-bromo-N-(5-bromothiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide 5-bromo-N-(5-bromothiazol-2-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) 2.56 2.53 -37.34 1 6 -1 86 427.123 4 ↓
Lo Low (pH 4.5-6) 2.56 2.47 -9.63 2 6 0 84 428.131 4 ↓
Lo Low (pH 4.5-6) 2.56 2.86 -37.8 3 6 1 85 429.139 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(5-bromothiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide 5-bromo-N-(5-bromothiazol-2-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) 2.93 3.35 -37.71 1 6 -1 86 441.15 5 ↓
Lo Low (pH 4.5-6) 2.93 3.37 -9.35 2 6 0 84 442.158 5 ↓
Lo Low (pH 4.5-6) 2.93 3.74 -37.53 3 6 1 85 443.166 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(5-bromothiazol-2-yl)-2-(propylamino)pyridine-3-sulfonamide 5-bromo-N-(5-bromothiazol-2-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) 3.43 4.12 -37.61 1 6 -1 86 455.177 6 ↓
Lo Low (pH 4.5-6) 3.43 4.14 -9.1 2 6 0 84 456.185 6 ↓
Lo Low (pH 4.5-6) 3.43 4.51 -37.51 3 6 1 85 457.193 6 ↓

Analogs

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Popular Name: 6-amino-N-(5-bromothiazol-2-yl)pyridine-3-sulfonamide 6-amino-N-(5-bromothiazol-2-yl)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) 1.44 0.81 -44 3 6 0 101 335.208 3 ↓
Hi High (pH 8-9.5) 1.44 0.32 -41.83 2 6 -1 100 334.2 3 ↓
Lo Low (pH 4.5-6) 1.44 0.98 -36.65 4 6 1 99 336.216 3 ↓

Analogs

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Popular Name: 2-amino-N-(5-bromothiazol-2-yl)pyridine-3-sulfonamide 2-amino-N-(5-bromothiazol-2-yl)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) 1.23 1.21 -44.51 3 6 0 101 335.208 3 ↓
Hi High (pH 8-9.5) 1.23 0.74 -40.36 2 6 -1 100 334.2 3 ↓

Analogs

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Popular Name: 2-amino-5-bromo-N-(5-bromothiazol-2-yl)pyridine-3-sulfonamide 2-amino-5-bromo-N-(5-bromothiazo…

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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) 2.18 1.33 -36.03 2 6 -1 100 413.096 3 ↓
Lo Low (pH 4.5-6) 2.18 1.25 -9.5 3 6 0 98 414.104 3 ↓

Analogs

1020473
1020473
8997060
8997060

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Popular Name: 6-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide 6-chloro-N-(1,3-thiazol-2-yl)pyr…

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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) 1.71 -5.65 -10.11 1 5 0 71 275.742 3 ↓
Hi High (pH 8-9.5) 1.71 -5.1 -34.26 0 5 -1 74 274.734 3 ↓

Analogs

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Popular Name: N-(5-bromothiazol-2-yl)-6-nitro-pyridine-3-sulfonamide N-(5-bromothiazol-2-yl)-6-nitro-…

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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) 1.92 3.3 -33.83 0 8 -1 120 364.182 4 ↓
Lo Low (pH 4.5-6) 2.85 3.86 -12.13 1 8 0 121 365.19 3 ↓

Analogs

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Popular Name: 6-hydrazino-N-(4-isopropylthiazol-2-yl)pyridine-3-sulfonamide 6-hydrazino-N-(4-isopropylthiazo…

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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) 1.55 1.32 -47.17 3 7 -1 112 312.4 5 ↓
Mid Mid (pH 6-8) 2.48 1.98 -16.09 4 7 0 113 313.408 4 ↓
Mid Mid (pH 6-8) 2.48 2.46 -35.99 5 7 1 114 314.416 4 ↓

Analogs

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Popular Name: 2-hydrazino-N-(4-isopropylthiazol-2-yl)pyridine-3-sulfonamide 2-hydrazino-N-(4-isopropylthiazo…

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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) 1.33 1.66 -45.33 3 7 -1 112 312.4 5 ↓
Mid Mid (pH 6-8) 2.26 2.3 -15.4 4 7 0 113 313.408 4 ↓
Mid Mid (pH 6-8) 1.33 2.14 -44.96 4 7 0 113 313.408 5 ↓

Parameters Provided:

ring.id = 6336
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 = 6336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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