UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHY…

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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) -0.53 -4.4 -119.01 0 8 -2 135 333.277 3 ↓

Analogs

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Popular Name: {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID {4-[(CARBOXYMETHOXY)CARBONYL]-3,…

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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) -1.03 -3.36 -110.78 0 10 -2 161 391.313 6 ↓

Analogs

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Popular Name: 2-(1,3,3-trioxonaphtho[1,2-d]isothiazol-2-yl)acetic 2-(1,3,3-trioxonaphtho[1,2-d]iso…

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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 -4.13 -62.37 0 6 -1 95 290.276 2 ↓

Analogs

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Popular Name: 2-(9-nitro-1,3,3-trioxo-naphtho[1,2-d]isothiazol-2-yl)acetic 2-(9-nitro-1,3,3-trioxo-naphtho[…

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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) -0.12 -2.98 -80.33 0 9 -1 140 335.273 3 ↓

Analogs

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Popular Name: 2-(6-nitro-1,3,3-trioxo-naphtho[1,2-d]isothiazol-2-yl)acetic 2-(6-nitro-1,3,3-trioxo-naphtho[…

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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) -0.12 -3.63 -53.61 0 9 -1 140 335.273 3 ↓

Analogs

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Popular Name: 2-(9-amino-1,3,3-trioxo-naphtho[1,2-d]isothiazol-2-yl)acetic 2-(9-amino-1,3,3-trioxo-naphtho[…

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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) -0.60 -5.89 -58.22 2 7 -1 121 305.291 2 ↓

Analogs

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Popular Name: 2-(6-amino-1,3,3-trioxo-naphtho[1,2-d]isothiazol-2-yl)acetic 2-(6-amino-1,3,3-trioxo-naphtho[…

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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) -0.60 -5.98 -63.25 2 7 -1 121 305.291 2 ↓

Analogs

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Popular Name: 2-methyl-1,3,3-trioxo-naphtho[4,3-d]isothiazole-4-carboxylic 2-methyl-1,3,3-trioxo-naphtho[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) 1.13 -4.05 -56.37 0 6 -1 95 290.276 1 ↓

Analogs

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Popular Name: 2-(2-methyl-1,3,3-trioxo-naphtho[4,3-d]isothiazole-4-carbonyl)oxyacetic 2-(2-methyl-1,3,3-trioxo-naphtho…

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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) 0.64 -3.02 -53.04 0 8 -1 121 348.312 4 ↓

Analogs

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Popular Name: 2-(2-benzyl-1,3,3-trioxo-naphtho[4,3-d]isothiazole-4-carbonyl)oxyacetic 2-(2-benzyl-1,3,3-trioxo-naphtho…

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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) 2.04 8.1 -54.07 0 8 -1 121 424.41 6 ↓

Parameters Provided:

ring.id = 40685
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 = 40685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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