UCSF
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Analogs

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Popular Name: (5R)-5-[methyl-[(2-methylthiazol-4-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-5-[methyl-[(2-methylthiazol…

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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) 2.03 7.25 -61.99 0 6 -1 74 347.464 6 ↓
Mid Mid (pH 6-8) 2.03 9.54 -67.77 1 6 0 75 348.472 6 ↓

Analogs

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Popular Name: (5S)-5-[methyl-[(2-methylthiazol-4-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-[methyl-[(2-methylthiazol…

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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) 2.03 6.93 -68.87 0 6 -1 74 347.464 6 ↓
Mid Mid (pH 6-8) 2.03 9.2 -75.2 1 6 0 75 348.472 6 ↓

Analogs

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Popular Name: (5R)-1-ethyl-5-[(2-isopropylthiazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-ethyl-5-[(2-isopropylthia…

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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) 2.34 6.84 -62.82 1 6 -1 83 347.464 6 ↓
Lo Low (pH 4.5-6) 2.34 8.02 -70.85 2 6 0 87 348.472 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-ethyl-5-[(2-isopropylthiazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-ethyl-5-[(2-isopropylthia…

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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) 2.34 6.82 -66.7 1 6 -1 83 347.464 6 ↓
Lo Low (pH 4.5-6) 2.34 7.99 -78.27 2 6 0 87 348.472 6 ↓

Parameters Provided:

ring.id = 530542
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 = 530542 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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