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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: (3S)-1-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyrrolidine-2,5-dione (3S)-1-methyl-3-(4,5,6,7-tetrahy…

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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) 0.88 4.57 -12.6 1 5 0 62 265.338 2 ↓
Lo Low (pH 4.5-6) 0.88 4.91 -33.61 2 5 1 64 266.346 2 ↓

Analogs

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Popular Name: (3S)-1-ethyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyrrolidine-2,5-dione (3S)-1-ethyl-3-(4,5,6,7-tetrahyd…

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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) 1.25 5.56 -12.18 1 5 0 62 279.365 3 ↓
Lo Low (pH 4.5-6) 1.25 5.9 -33.19 2 5 1 64 280.373 3 ↓

Analogs

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Popular Name: (3S)-1-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyrrolidine-2,5-dione (3S)-1-propyl-3-(4,5,6,7-tetrahy…

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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) 1.76 6.32 -12.08 1 5 0 62 293.392 4 ↓
Lo Low (pH 4.5-6) 1.76 6.66 -33.22 2 5 1 64 294.4 4 ↓

Analogs

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Popular Name: (3S)-1-isopropyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyrrolidine-2,5-dione (3S)-1-isopropyl-3-(4,5,6,7-tetr…

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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) 1.55 6.11 -11.82 1 5 0 62 293.392 3 ↓
Lo Low (pH 4.5-6) 1.55 6.45 -32.69 2 5 1 64 294.4 3 ↓

Analogs

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Popular Name: (3R)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyrrolidine-2,5-dione (3R)-3-(4,5,6,7-tetrahydro-1,3-b…

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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 2.19 -12.44 2 5 0 71 251.311 2 ↓
Mid Mid (pH 6-8) 0.82 -0.36 -42.09 1 5 -1 77 250.303 2 ↓
Lo Low (pH 4.5-6) 0.64 2.61 -34 3 5 1 72 252.319 2 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-1-methylpropyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyrrolidine-2,5-dione (3S)-1-[(1R)-1-methylpropyl]-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) 2.09 7.18 -11.58 1 5 0 62 307.419 4 ↓
Lo Low (pH 4.5-6) 2.09 7.52 -32.45 2 5 1 64 308.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1S)-1-methylpropyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyrrolidine-2,5-dione (3S)-1-[(1S)-1-methylpropyl]-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) 2.09 7.18 -11.53 1 5 0 62 307.419 4 ↓
Lo Low (pH 4.5-6) 2.09 7.52 -32.42 2 5 1 64 308.427 4 ↓

Parameters Provided:

ring.id = 587444
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 = 587444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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