UCSF
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Analogs

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

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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 4.64 -12.05 1 5 0 75 309.416 2 ↓
Mid Mid (pH 6-8) 2.40 4.1 -48.75 0 5 -1 74 308.408 3 ↓
Lo Low (pH 4.5-6) 3.33 5.1 -38.8 2 5 1 76 310.424 2 ↓

Analogs

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

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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 4.64 -12.04 1 5 0 75 309.416 2 ↓
Mid Mid (pH 6-8) 2.40 4.1 -48.72 0 5 -1 74 308.408 3 ↓
Lo Low (pH 4.5-6) 3.33 5.1 -38.82 2 5 1 76 310.424 2 ↓

Analogs

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Popular Name: 6-hydrazino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide 6-hydrazino-N-(4,5,6,7-tetrahydr…

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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) 2.44 2.61 -16.45 4 7 0 113 325.419 3 ↓
Hi High (pH 8-9.5) 1.51 2.14 -51.52 3 7 -1 112 324.411 4 ↓
Mid Mid (pH 6-8) 1.51 2.62 -47.21 4 7 0 113 325.419 4 ↓

Analogs

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Popular Name: 2-hydrazino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide 2-hydrazino-N-(4,5,6,7-tetrahydr…

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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) 2.22 3 -13.91 4 7 0 113 325.419 3 ↓
Hi High (pH 8-9.5) 1.29 2.47 -49.63 3 7 -1 112 324.411 4 ↓
Mid Mid (pH 6-8) 1.29 2.95 -47.6 4 7 0 113 325.419 4 ↓

Parameters Provided:

ring.id = 284898
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 = 284898 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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