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Analogs

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Popular Name: 6-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 6-chloro-N-[(4R)-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) 2.94 4.05 -10.36 1 4 0 59 328.846 3 ↓

Analogs

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Popular Name: 6-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 6-chloro-N-[(4S)-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) 2.94 3.94 -9.29 1 4 0 59 328.846 3 ↓

Analogs

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Popular Name: 2-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 2-chloro-N-[(4R)-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) 2.73 4.19 -11.28 1 4 0 59 328.846 3 ↓

Analogs

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Popular Name: 2-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 2-chloro-N-[(4S)-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) 2.73 3.56 -10.88 1 4 0 59 328.846 3 ↓

Analogs

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Popular Name: 5-bromo-2-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 5-bromo-2-chloro-N-[(4R)-4,5,6,7…

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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) 3.68 4.28 -7.68 1 4 0 59 407.742 3 ↓
Hi High (pH 8-9.5) 3.68 4.47 -38.85 0 4 -1 61 406.734 3 ↓

Analogs

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Popular Name: 5-bromo-2-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 5-bromo-2-chloro-N-[(4S)-4,5,6,7…

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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) 3.68 4.11 -7.74 1 4 0 59 407.742 3 ↓
Hi High (pH 8-9.5) 3.68 4.37 -39.4 0 4 -1 61 406.734 3 ↓

Analogs

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Popular Name: 6-hydrazino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 6-hydrazino-N-[(4R)-4,5,6,7-tetr…

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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) 1.51 2.27 -12.71 4 6 0 97 324.431 4 ↓

Analogs

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Popular Name: 6-hydrazino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 6-hydrazino-N-[(4S)-4,5,6,7-tetr…

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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) 1.51 2.16 -11.5 4 6 0 97 324.431 4 ↓

Analogs

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Popular Name: 2-hydrazino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 2-hydrazino-N-[(4R)-4,5,6,7-tetr…

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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) 1.29 2.65 -12.25 4 6 0 97 324.431 4 ↓

Analogs

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Popular Name: 2-hydrazino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 2-hydrazino-N-[(4S)-4,5,6,7-tetr…

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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) 1.29 2.61 -11.03 4 6 0 97 324.431 4 ↓

Analogs

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Popular Name: 5-bromo-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 5-bromo-N-[(4R)-4,5,6,7-tetrahyd…

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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) 2.88 4.22 -9.13 1 4 0 59 373.297 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 5-bromo-N-[(4S)-4,5,6,7-tetrahyd…

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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) 2.88 4.09 -7.92 1 4 0 59 373.297 3 ↓

Analogs

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Popular Name: 6-amino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 6-amino-N-[(4R)-4,5,6,7-tetrahyd…

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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 2.36 -11.52 3 5 0 85 309.416 3 ↓

Analogs

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Popular Name: 6-amino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 6-amino-N-[(4S)-4,5,6,7-tetrahyd…

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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 2.25 -10.37 3 5 0 85 309.416 3 ↓

Analogs

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Popular Name: 2-amino-5-bromo-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 2-amino-5-bromo-N-[(4R)-4,5,6,7-…

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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) 2.49 3.44 -9.8 3 5 0 85 388.312 3 ↓

Analogs

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Popular Name: 2-amino-5-bromo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 2-amino-5-bromo-N-[(4S)-4,5,6,7-…

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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) 2.49 3.38 -9.19 3 5 0 85 388.312 3 ↓

Analogs

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Popular Name: 6-(methylamino)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 6-(methylamino)-N-[(4R)-4,5,6,7-…

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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) 2.12 3.26 -11.38 2 5 0 71 323.443 4 ↓

Analogs

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Popular Name: 6-(methylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 6-(methylamino)-N-[(4S)-4,5,6,7-…

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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) 2.12 3.17 -10.24 2 5 0 71 323.443 4 ↓

Analogs

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Popular Name: 2-(methylamino)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 2-(methylamino)-N-[(4R)-4,5,6,7-…

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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) 1.91 4.07 -11.3 2 5 0 71 323.443 4 ↓

Analogs

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Popular Name: 2-(methylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-sulfonamide 2-(methylamino)-N-[(4S)-4,5,6,7-…

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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) 1.91 4 -10.91 2 5 0 71 323.443 4 ↓

Parameters Provided:

ring.id = 212086
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 = 212086 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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