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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-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-3-nitro-aniline N-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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) 2.03 4.16 -18.96 1 6 0 92 284.337 4 ↓

Analogs

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Popular Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-3-nitro-aniline N-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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) 2.03 4.13 -18.81 1 6 0 92 284.337 4 ↓

Analogs

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Popular Name: N1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-benzene-1,3-diamine N1-[[(3S)-1,1-dioxothiolan-3-yl]…

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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) 1.56 1.46 -13.64 3 4 0 72 254.355 3 ↓

Analogs

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Popular Name: N1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-benzene-1,3-diamine N1-[[(3R)-1,1-dioxothiolan-3-yl]…

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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) 1.56 1.44 -13.85 3 4 0 72 254.355 3 ↓

Analogs

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Popular Name: N1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-nitro-benzene-1,2-diamine N1-[[(3S)-1,1-dioxothiolan-3-yl]…

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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 1.68 -21.1 3 7 0 118 285.325 4 ↓

Analogs

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Popular Name: N1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-nitro-benzene-1,2-diamine N1-[[(3R)-1,1-dioxothiolan-3-yl]…

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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 1.67 -21.29 3 7 0 118 285.325 4 ↓

Analogs

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Popular Name: 5-chloro-2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzonitrile 5-chloro-2-[[(3S)-1,1-dioxothiol…

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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) 2.06 3.72 -16.56 1 4 0 70 284.768 3 ↓

Analogs

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Popular Name: 5-chloro-2-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzonitrile 5-chloro-2-[[(3R)-1,1-dioxothiol…

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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) 2.06 3.71 -16.15 1 4 0 70 284.768 3 ↓

Analogs

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Popular Name: 5-chloro-2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzenecarbothioamide 5-chloro-2-[[(3S)-1,1-dioxothiol…

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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) 2.10 2.57 -21.59 3 4 0 72 318.851 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzenecarbothioamide 5-chloro-2-[[(3R)-1,1-dioxothiol…

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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) 2.10 2.57 -22.19 3 4 0 72 318.851 4 ↓

Analogs

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Popular Name: 2-chloro-6-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzenecarbothioamide 2-chloro-6-[[(3S)-1,1-dioxothiol…

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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) 2.08 2.48 -21.97 3 4 0 72 318.851 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzenecarbothioamide 2-chloro-6-[[(3R)-1,1-dioxothiol…

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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) 2.08 2.47 -22.49 3 4 0 72 318.851 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzonitrile 4-chloro-2-[[(3S)-1,1-dioxothiol…

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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) 2.06 3.72 -15.21 1 4 0 70 284.768 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzonitrile 4-chloro-2-[[(3R)-1,1-dioxothiol…

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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) 2.06 3.71 -14.96 1 4 0 70 284.768 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzoic 4-chloro-2-[[(3S)-1,1-dioxothiol…

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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) 2.40 4.13 -48.78 1 5 -1 86 302.759 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzoic 4-chloro-2-[[(3R)-1,1-dioxothiol…

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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) 2.40 4.11 -48.17 1 5 -1 86 302.759 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzenecarbothioamide 4-chloro-2-[[(3S)-1,1-dioxothiol…

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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) 2.10 2.56 -21.76 3 4 0 72 318.851 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzenecarbothioamide 4-chloro-2-[[(3R)-1,1-dioxothiol…

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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) 2.10 2.56 -20.67 3 4 0 72 318.851 4 ↓

Analogs

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Popular Name: 3-chloro-4-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzoic 3-chloro-4-[[(3S)-1,1-dioxothiol…

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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) 2.21 3.95 -57.8 1 5 -1 86 302.759 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzoic 3-chloro-4-[[(3R)-1,1-dioxothiol…

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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) 2.21 3.95 -57.91 1 5 -1 86 302.759 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzenecarbothioamide 3-chloro-4-[[(3S)-1,1-dioxothiol…

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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) 2.10 2.62 -22.4 3 4 0 72 318.851 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzenecarbothioamide 3-chloro-4-[[(3R)-1,1-dioxothiol…

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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) 2.10 2.61 -22.36 3 4 0 72 318.851 4 ↓

Analogs

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Popular Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]-3,5-difluoro-benzoic 4-[[(3S)-1,1-dioxothiolan-3-yl]m…

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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) 1.79 3.45 -51.76 1 5 -1 86 304.294 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]-3,5-difluoro-benzoic 4-[[(3R)-1,1-dioxothiolan-3-yl]m…

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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) 1.79 3.4 -52.21 1 5 -1 86 304.294 4 ↓

Analogs

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Popular Name: 4-amino-2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]benzoic 4-amino-2-[[(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) 0.79 1.48 -56.53 3 6 -1 112 283.329 4 ↓
Lo Low (pH 4.5-6) 0.79 -0.5 -16 4 6 0 109 284.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]benzoic 4-amino-2-[[(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) 0.79 1.48 -55.82 3 6 -1 112 283.329 4 ↓
Lo Low (pH 4.5-6) 0.79 -0.51 -15.68 4 6 0 109 284.337 4 ↓

Parameters Provided:

ring.id = 5597
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 = 5597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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