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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-[(4-isopropylthiazol-2-yl)amino]-1-methyl-pyrrolidine-2,5-dione (3R)-3-[(4-isopropylthiazol-2-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) 0.92 3.71 -11.49 1 5 0 62 253.327 3 ↓
Lo Low (pH 4.5-6) 0.92 4.15 -34.59 2 5 1 64 254.335 3 ↓

Analogs

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Popular Name: (3S)-1-ethyl-3-[(4-isopropylthiazol-2-yl)amino]pyrrolidine-2,5-dione (3S)-1-ethyl-3-[(4-isopropylthia…

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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) 1.29 4.71 -11.17 1 5 0 62 267.354 4 ↓
Lo Low (pH 4.5-6) 1.30 5.15 -34.22 2 5 1 64 268.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-isopropylthiazol-2-yl)amino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[(4-isopropylthiazol-2-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) 1.80 5.47 -11 1 5 0 62 281.381 5 ↓
Lo Low (pH 4.5-6) 1.80 5.91 -34.19 2 5 1 64 282.389 5 ↓

Analogs

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Popular Name: (3R)-1-isopropyl-3-[(4-isopropylthiazol-2-yl)amino]pyrrolidine-2,5-dione (3R)-1-isopropyl-3-[(4-isopropyl…

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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) 1.59 5.26 -10.8 1 5 0 62 281.381 4 ↓
Lo Low (pH 4.5-6) 1.59 5.7 -33.62 2 5 1 64 282.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-isopropylthiazol-2-yl)amino]pyrrolidine-2,5-dione (3R)-3-[(4-isopropylthiazol-2-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) 0.67 1.42 -11.89 2 5 0 71 239.3 3 ↓
Mid Mid (pH 6-8) 0.86 -1.12 -40.81 1 5 -1 77 238.292 3 ↓
Mid Mid (pH 6-8) 0.86 -1.12 -40.78 1 5 -1 77 238.292 3 ↓

Analogs

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Popular Name: (3S)-1-(1-ethylpropyl)-3-[(4-isopropylthiazol-2-yl)amino]pyrrolidine-2,5-dione (3S)-1-(1-ethylpropyl)-3-[(4-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) 2.66 7.41 -10.12 1 5 0 62 309.435 6 ↓
Lo Low (pH 4.5-6) 2.66 7.85 -33.2 2 5 1 64 310.443 6 ↓

Analogs

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Popular Name: (3S)-3-[(4-isopropylthiazol-2-yl)amino]-1-[(1R)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[(4-isopropylthiazol-2-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) 2.13 6.33 -10.39 1 5 0 62 295.408 5 ↓
Lo Low (pH 4.5-6) 2.13 6.78 -33.43 2 5 1 64 296.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-isopropylthiazol-2-yl)amino]-1-[(1S)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[(4-isopropylthiazol-2-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) 2.13 6.33 -10.43 1 5 0 62 295.408 5 ↓
Lo Low (pH 4.5-6) 2.13 6.78 -33.4 2 5 1 64 296.416 5 ↓

Parameters Provided:

ring.id = 544433
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 = 544433 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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