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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-nitro-1,3-benzothiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-6…

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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) 1.81 3.8 -17.33 1 7 0 105 313.36 3 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-nitro-1,3-benzothiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-6…

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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) 1.81 3.81 -16.96 1 7 0 105 313.36 3 ↓

Analogs

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Popular Name: 7-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-1,3-benzothiazol-2-amine 7-chloro-N-[(3R)-1,1-dioxothiola…

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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) 2.50 3.59 -15.47 1 4 0 59 302.808 2 ↓

Analogs

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Popular Name: 7-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-benzothiazol-2-amine 7-chloro-N-[(3S)-1,1-dioxothiola…

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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) 2.50 3.6 -15.16 1 4 0 59 302.808 2 ↓

Analogs

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Popular Name: 5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-1,3-benzothiazol-2-amine 5-bromo-N-[(3R)-1,1-dioxothiolan…

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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) 2.66 3.59 -15.22 1 4 0 59 347.259 2 ↓

Analogs

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Popular Name: 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-benzothiazol-2-amine 5-bromo-N-[(3S)-1,1-dioxothiolan…

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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) 2.66 3.6 -15.45 1 4 0 59 347.259 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-fluoro-1,3-benzothiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) 2.01 3.05 -15.9 1 4 0 59 286.353 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-1,3-benzothiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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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) 2.01 3.06 -16.16 1 4 0 59 286.353 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-1,3-benzothiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) 2.30 3.64 -15.99 1 4 0 59 282.39 2 ↓
Lo Low (pH 4.5-6) 2.30 4.08 -40.21 2 4 1 60 283.398 2 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-1,3-benzothiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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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) 2.30 3.65 -16.04 1 4 0 59 282.39 2 ↓
Lo Low (pH 4.5-6) 2.30 4.07 -40.49 2 4 1 60 283.398 2 ↓

Analogs

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Popular Name: 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-1,3-benzothiazol-2-amine 5-chloro-N-[(3R)-1,1-dioxothiola…

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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) 2.53 3.49 -15.37 1 4 0 59 302.808 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-benzothiazol-2-amine 5-chloro-N-[(3S)-1,1-dioxothiola…

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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) 2.53 3.49 -15.55 1 4 0 59 302.808 2 ↓

Parameters Provided:

ring.id = 299748
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 299748 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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