UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19853742
19853742
19853751
19853751
19854462
19854462

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Popular Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)-acetamide 2-[[4-ethyl-5-(4-nitrophenyl)-1,…

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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) 4.36 0.16 -16.69 1 9 0 118 466.548 8 ↓

Analogs

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Popular Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]acetam 2-[[4-amino-5-(p-tolyl)-1,2,4-tr…

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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) 5.06 12.37 -14.32 3 7 0 99 464.62 6 ↓
Hi High (pH 8-9.5) 5.25 10.94 -45.57 2 7 -1 105 463.612 6 ↓

Analogs

36640837
36640837

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Popular Name: (2S)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)propanamid (2S)-2-[[4-amino-5-(2-methoxyphe…

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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) 3.78 9.82 -17.07 3 8 0 108 452.565 7 ↓

Analogs

36640835
36640835

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Popular Name: (2R)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)propanamid (2R)-2-[[4-amino-5-(2-methoxyphe…

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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) 3.78 9.82 -17 3 8 0 108 452.565 7 ↓

Analogs

19853742
19853742
19853751
19853751
19854463
19854463

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)acetamide 2-[[4-methyl-5-(4-nitrophenyl)-1…

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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) 3.98 12.16 -17.56 1 9 0 119 452.521 7 ↓

Parameters Provided:

ring.id = 4616
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 = 4616 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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