UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3402644
3402644
42190314
42190314
42190315
42190315
42190317
42190317

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Popular Name: 2-(methylthio)-N-[(1S)-tetralin-1-yl]nicotinamide 2-(methylthio)-N-[(1S)-tetralin-…

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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) 2.24 -1.23 -11.83 1 3 0 41 298.411 3 ↓

Analogs

3402642
3402642

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Popular Name: 2-(methylthio)-N-[(1R)-tetralin-1-yl]nicotinamide 2-(methylthio)-N-[(1R)-tetralin-…

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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) 2.24 -1.25 -11.86 1 3 0 41 298.411 3 ↓

Analogs

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Popular Name: N-[(1R)-4,4-dimethyltetralin-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide N-[(1R)-4,4-dimethyltetralin-1-y…

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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) 3.12 6.62 -57.28 1 4 -1 65 363.359 3 ↓
Lo Low (pH 4.5-6) 2.66 7.28 -9.62 2 4 0 62 364.367 3 ↓

Analogs

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Popular Name: 6-fluoro-N-[(1S)-tetralin-1-yl]pyridine-3-carboxamide 6-fluoro-N-[(1S)-tetralin-1-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) 1.86 6.47 -8.81 1 3 0 42 270.307 2 ↓

Analogs

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Popular Name: 6-fluoro-N-[(1R)-tetralin-1-yl]pyridine-3-carboxamide 6-fluoro-N-[(1R)-tetralin-1-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) 1.86 6.47 -8.84 1 3 0 42 270.307 2 ↓

Analogs

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Popular Name: 6-(isopropylamino)-N-[(1R)-tetralin-1-yl]pyridine-3-carboxamide 6-(isopropylamino)-N-[(1R)-tetra…

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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) 2.23 7.67 -9.43 2 4 0 54 309.413 4 ↓

Analogs

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Popular Name: 2-(isopropylamino)-N-[(1R)-tetralin-1-yl]pyridine-3-carboxamide 2-(isopropylamino)-N-[(1R)-tetra…

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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) 2.17 8.51 -9.55 2 4 0 54 309.413 4 ↓
Lo Low (pH 4.5-6) 2.17 8.85 -34.46 3 4 1 55 310.421 4 ↓

Parameters Provided:

ring.id = 36894
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 = 36894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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