UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(5S)-2-(N'-cyclododecylidenehydrazino)-4-oxo-thiazol-5-yl]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocy 2-[(5S)-2-(N'-cyclododecylideneh…

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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) 8.67 15.2 -51.89 1 7 -1 98 572.865 5 ↓
Lo Low (pH 4.5-6) 8.67 15.28 -19.98 2 7 0 96 573.873 5 ↓

Analogs

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Popular Name: 2-[(5R)-2-(N'-cyclododecylidenehydrazino)-4-oxo-thiazol-5-yl]-N-(4,5,6,7,8,9,10,11,12,13-decahydrocy 2-[(5R)-2-(N'-cyclododecylideneh…

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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) 8.67 15.2 -51.51 1 7 -1 98 572.865 5 ↓
Lo Low (pH 4.5-6) 8.67 15.28 -19.42 2 7 0 96 573.873 5 ↓

Analogs

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Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5S)-2-[(N'E)-N'-[(2R)-2-methylcy N-(4,5,6,7,8,9,10,11,12,13-decah…

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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) 8.79 15.74 -52.06 1 7 -1 98 586.892 5 ↓
Lo Low (pH 4.5-6) 8.79 15.82 -19.65 2 7 0 96 587.9 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5S)-2-[(N'E)-N'-[(2S)-2-methylcy N-(4,5,6,7,8,9,10,11,12,13-decah…

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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) 8.79 15.66 -52.1 1 7 -1 98 586.892 5 ↓
Lo Low (pH 4.5-6) 8.79 15.65 -19.68 2 7 0 96 587.9 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5R)-2-[(N'E)-N'-[(2R)-2-methylcy N-(4,5,6,7,8,9,10,11,12,13-decah…

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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) 8.79 15.74 -51.78 1 7 -1 98 586.892 5 ↓
Lo Low (pH 4.5-6) 8.79 15.82 -19.22 2 7 0 96 587.9 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)-2-[(5R)-2-[(N'E)-N'-[(2S)-2-methylcy N-(4,5,6,7,8,9,10,11,12,13-decah…

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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) 8.79 15.66 -51.84 1 7 -1 98 586.892 5 ↓
Lo Low (pH 4.5-6) 8.79 15.64 -19.28 2 7 0 96 587.9 5 ↓

Parameters Provided:

ring.id = 196552
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 = 196552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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