UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2,1,3-benzothiadiazol-4-…

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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) 1.29 2.88 -49.95 0 7 -1 103 326.379 3 ↓

Analogs

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Popular Name: (3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2,1,3-benzothiadiazol-4-…

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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) 1.29 2.89 -50.37 0 7 -1 103 326.379 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) 1.70 4.11 -56.75 1 8 1 94 385.491 5 ↓
Mid Mid (pH 6-8) 1.70 1.95 -14.83 0 8 0 93 384.483 5 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-N-ethyl-1-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-ethyl-1-[(5-me…

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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) 0.16 -0.53 -67.59 4 8 1 120 370.48 4 ↓
Mid Mid (pH 6-8) 0.16 -1.13 -23.91 3 8 0 118 369.472 4 ↓

Parameters Provided:

ring.id = 309661
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 = 309661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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