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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: 3-[[2-[(5R)-2-diethylamino-4-oxo-thiazol-5-yl]acetyl]amino]-N-[(1R)-2-dimethylamino-1-phenyl-ethyl]b 3-[[2-[(5R)-2-diethylamino-4-oxo…

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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) 2.56 10.7 -47.89 3 8 1 95 496.657 11 ↓
Hi High (pH 8-9.5) 2.56 8.89 -26.44 2 8 0 94 495.649 11 ↓
Lo Low (pH 4.5-6) 2.56 11.64 -76.12 4 8 2 97 497.665 11 ↓

Analogs

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Popular Name: 3-[[2-[(5S)-2-diethylamino-4-oxo-thiazol-5-yl]acetyl]amino]-N-[(1R)-2-dimethylamino-1-phenyl-ethyl]b 3-[[2-[(5S)-2-diethylamino-4-oxo…

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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) 2.56 10.54 -53.29 3 8 1 95 496.657 11 ↓
Hi High (pH 8-9.5) 2.56 8.18 -26.9 2 8 0 94 495.649 11 ↓
Lo Low (pH 4.5-6) 2.56 11.48 -79.43 4 8 2 97 497.665 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[(5R)-2-diethylamino-4-oxo-thiazol-5-yl]acetyl]amino]-N-[(1S)-2-dimethylamino-1-phenyl-ethyl]b 3-[[2-[(5R)-2-diethylamino-4-oxo…

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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) 2.56 10.42 -51.97 3 8 1 95 496.657 11 ↓
Hi High (pH 8-9.5) 2.56 8.02 -26.73 2 8 0 94 495.649 11 ↓
Lo Low (pH 4.5-6) 2.56 11.36 -78.48 4 8 2 97 497.665 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[(5S)-2-diethylamino-4-oxo-thiazol-5-yl]acetyl]amino]-N-[(1S)-2-dimethylamino-1-phenyl-ethyl]b 3-[[2-[(5S)-2-diethylamino-4-oxo…

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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) 2.56 10.5 -52.14 3 8 1 95 496.657 11 ↓
Hi High (pH 8-9.5) 2.56 8.12 -28.79 2 8 0 94 495.649 11 ↓
Lo Low (pH 4.5-6) 2.56 11.44 -78.54 4 8 2 97 497.665 11 ↓

Analogs

14226776
14226776

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Popular Name: 3-[[2-[(5R)-2-diethylamino-4-oxo-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methyl-benz 3-[[2-[(5R)-2-diethylamino-4-oxo…

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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) 2.26 10.08 -30.33 1 7 0 82 470.57 9 ↓

Analogs

14226773
14226773

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Popular Name: 3-[[2-[(5S)-2-diethylamino-4-oxo-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methyl-benz 3-[[2-[(5S)-2-diethylamino-4-oxo…

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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) 2.26 10.15 -23.75 1 7 0 82 470.57 9 ↓

Parameters Provided:

ring.id = 105568
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 = 105568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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