UCSF
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Analogs

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Popular Name: 1-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-4-sulfonamide 1-methyl-N-[(6R)-6-methyl-4,5,6,…

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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) 2.78 4.14 -13.62 1 6 0 80 312.42 2 ↓
Mid Mid (pH 6-8) 1.85 3.6 -49.27 0 6 -1 79 311.412 3 ↓

Analogs

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Popular Name: 1-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-4-sulfonamide 1-methyl-N-[(6S)-6-methyl-4,5,6,…

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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) 2.78 4.14 -13.59 1 6 0 80 312.42 2 ↓
Mid Mid (pH 6-8) 1.85 3.6 -49.26 0 6 -1 79 311.412 3 ↓

Analogs

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Popular Name: 3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-4-sulfonamide 3-amino-N-(4,5,6,7-tetrahydro-1,…

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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) 1.84 1.3 -36.09 5 7 1 118 300.389 2 ↓
Hi High (pH 8-9.5) 0.91 0.62 -47.38 3 7 -1 116 298.373 3 ↓
Mid Mid (pH 6-8) 1.84 1.15 -13.02 4 7 0 117 299.381 2 ↓

Analogs

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Popular Name: 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-4-sulfonamide 5-methyl-N-(4,5,6,7-tetrahydro-1…

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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) 2.46 2.79 -12.95 2 6 0 91 298.393 2 ↓
Hi High (pH 8-9.5) 1.53 2.27 -47.82 1 6 -1 90 297.385 3 ↓

Parameters Provided:

ring.id = 232551
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 = 232551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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