UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-1-(1,3-benzothiazole-6-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1,3-benzothiazole-6-carb…

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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) 1.31 5.95 -52.91 0 5 -1 73 289.336 2 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzothiazole-6-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1,3-benzothiazole-6-carb…

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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) 1.31 6.04 -50.3 0 5 -1 73 289.336 2 ↓

Analogs

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Popular Name: (3S)-1-(1,3-benzothiazole-6-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1,3-benzothiazole-6-carb…

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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) 1.64 6.49 -44.13 0 5 -1 73 303.363 3 ↓

Analogs

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Popular Name: (3R)-1-(1,3-benzothiazole-6-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(1,3-benzothiazole-6-carb…

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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) 1.64 6.53 -49.7 0 5 -1 73 303.363 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.31 6.96 -60.97 1 6 1 64 334.421 4 ↓
Hi High (pH 8-9.5) 1.31 4.57 -15.11 0 6 0 63 333.413 4 ↓

Analogs

42433869
42433869

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Popular Name: 1,3-benzothiazol-6-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone 1,3-benzothiazol-6-yl-[(2R)-2-(h…

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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) 1.07 2.52 -10.99 1 4 0 53 262.334 2 ↓

Analogs

42433868
42433868

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Popular Name: 1,3-benzothiazol-6-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone 1,3-benzothiazol-6-yl-[(2S)-2-(h…

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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) 1.07 2.53 -11.01 1 4 0 53 262.334 2 ↓

Parameters Provided:

ring.id = 307271
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 = 307271 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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