UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34199394
34199394
34199396
34199396
34199398
34199398

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Popular Name: 5-bromo-N-[(1R,2S)-2-hydroxyindan-1-yl]pyridine-3-sulfonamide 5-bromo-N-[(1R,2S)-2-hydroxyinda…

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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 1.3 -10.03 2 5 0 79 369.24 3 ↓

Analogs

34199394
34199394
34199396
34199396
34199398
34199398

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R,2R)-2-hydroxyindan-1-yl]pyridine-3-sulfonamide 5-bromo-N-[(1R,2R)-2-hydroxyinda…

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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 0.99 -9.67 2 5 0 79 369.24 3 ↓

Analogs

34199394
34199394
34199396
34199396
34199398
34199398

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S,2S)-2-hydroxyindan-1-yl]pyridine-3-sulfonamide 5-bromo-N-[(1S,2S)-2-hydroxyinda…

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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 1.13 -10.19 2 5 0 79 369.24 3 ↓

Analogs

34199394
34199394
34199396
34199396
34199398
34199398

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S,2R)-2-hydroxyindan-1-yl]pyridine-3-sulfonamide 5-bromo-N-[(1S,2R)-2-hydroxyinda…

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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 1.47 -10.85 2 5 0 79 369.24 3 ↓

Analogs

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Popular Name: 6-amino-N-[(1R)-indan-1-yl]-N-methyl-pyridine-3-sulfonamide 6-amino-N-[(1R)-indan-1-yl]-N-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) 1.85 4.19 -9.88 2 5 0 76 303.387 3 ↓

Analogs

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Popular Name: 6-amino-N-[(1S)-indan-1-yl]-N-methyl-pyridine-3-sulfonamide 6-amino-N-[(1S)-indan-1-yl]-N-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) 1.85 4.28 -10.9 2 5 0 76 303.387 3 ↓

Analogs

42191714
42191714
42191718
42191718
42191720
42191720
42191723
42191723

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Popular Name: N-[(1R)-5-fluoroindan-1-yl]pyridine-3-sulfonamide N-[(1R)-5-fluoroindan-1-yl]pyrid…

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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 3.91 -11.71 1 4 0 59 292.335 3 ↓

Analogs

42191714
42191714
42191718
42191718
42191720
42191720
42191723
42191723

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-5-fluoroindan-1-yl]pyridine-3-sulfonamide N-[(1S)-5-fluoroindan-1-yl]pyrid…

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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 3.86 -10.59 1 4 0 59 292.335 3 ↓

Analogs

42191714
42191714
42191718
42191718
42191720
42191720
42191723
42191723

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Popular Name: N-[(1S)-4-fluoroindan-1-yl]pyridine-3-sulfonamide N-[(1S)-4-fluoroindan-1-yl]pyrid…

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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) 1.90 3.84 -11.15 1 4 0 59 292.335 3 ↓

Analogs

42191714
42191714
42191718
42191718
42191720
42191720
42191723
42191723

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-fluoroindan-1-yl]pyridine-3-sulfonamide N-[(1R)-4-fluoroindan-1-yl]pyrid…

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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) 1.90 3.98 -11.28 1 4 0 59 292.335 3 ↓

Analogs

42191714
42191714
42191718
42191718
42191720
42191720
42191723
42191723

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Popular Name: N-[(1S)-4-chloroindan-1-yl]pyridine-3-sulfonamide N-[(1S)-4-chloroindan-1-yl]pyrid…

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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) 2.41 4.26 -10.47 1 4 0 59 308.79 3 ↓

Analogs

42191714
42191714
42191718
42191718
42191720
42191720
42191723
42191723

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-chloroindan-1-yl]pyridine-3-sulfonamide N-[(1R)-4-chloroindan-1-yl]pyrid…

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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) 2.41 4.4 -10.71 1 4 0 59 308.79 3 ↓

Analogs

42191714
42191714
42191718
42191718
42191720
42191720
42191723
42191723

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-5-chloroindan-1-yl]pyridine-3-sulfonamide N-[(1R)-5-chloroindan-1-yl]pyrid…

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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) 2.43 4.36 -11.15 1 4 0 59 308.79 3 ↓

Analogs

42191714
42191714
42191718
42191718
42191720
42191720
42191723
42191723

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-5-chloroindan-1-yl]pyridine-3-sulfonamide N-[(1S)-5-chloroindan-1-yl]pyrid…

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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) 2.43 4.3 -9.97 1 4 0 59 308.79 3 ↓

Parameters Provided:

ring.id = 6517
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 = 6517 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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