UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-oxo-2-(prop-2-ynylamino)ethyl] [2-oxo-2-(prop-2-ynylamino)ethyl]

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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) -0.20 4.55 -29.54 1 8 0 105 375.406 6 ↓

Analogs

27363660
27363660

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Popular Name: (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-isopentyl-pyrrolidine-2-carboxamide (2S)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 1.43 4.35 -29.12 1 6 0 79 349.456 5 ↓

Analogs

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Popular Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 0.28 4.23 -49.63 0 6 -1 90 293.324 2 ↓

Analogs

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Popular Name: (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 0.28 4.26 -59.7 0 6 -1 90 293.324 2 ↓

Analogs

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Popular Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 0.61 4.72 -48.62 0 6 -1 90 307.351 3 ↓

Analogs

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Popular Name: (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(1,1-dioxo-1,2-benzothiaz…

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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) 0.61 4.83 -52.62 0 6 -1 90 307.351 3 ↓

Analogs

42434720
42434720

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Popular Name: 3-(2-(hydroxymethyl)pyrrolidin-1-yl)benzo[d]isothiazole 1,1-dioxide 3-(2-(hydroxymethyl)pyrrolidin-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) 0.04 0.81 -19.34 1 5 0 70 266.322 2 ↓

Analogs

42434719
42434719

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Popular Name: 3-(2-(hydroxymethyl)pyrrolidin-1-yl)benzo[d]isothiazole 1,1-dioxide 3-(2-(hydroxymethyl)pyrrolidin-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) 0.04 0.82 -19.35 1 5 0 70 266.322 2 ↓

Parameters Provided:

ring.id = 44202
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 = 44202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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