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Analogs

2797459
2797459

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Popular Name: (6S)-2-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzoth (6S)-2-[(4-chloro-1-ethyl-pyrazo…

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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) 4.26 11.19 -15.63 2 7 0 85 455.005 8 ↓
Mid Mid (pH 6-8) 4.30 10.73 -52.59 1 7 -1 86 453.997 7 ↓

Analogs

2797458
2797458

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Popular Name: (6R)-2-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzoth (6R)-2-[(4-chloro-1-ethyl-pyrazo…

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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) 4.26 11.19 -15.67 2 7 0 85 455.005 8 ↓
Mid Mid (pH 6-8) 4.30 10.73 -52.61 1 7 -1 86 453.997 7 ↓

Analogs

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Popular Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-1-ethyl-pyrazole-3-carboxam 4-chloro-N-[(3-cyano-4,5,6,7-tet…

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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) 3.33 0.05 -13.76 2 6 0 82 393.925 5 ↓

Parameters Provided:

ring.id = 240148
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 = 240148 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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