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

Analogs

11820454
11820454
39677254
39677254
39677255
39677255
39681167
39681167
39681168
39681168

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Popular Name: (5S)-3-(3-methylthiophene-2-carbonyl)-7-(3-pyridylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-(3-methylthiophene-2-carb…

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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) 1.77 -0.81 -17.95 0 5 0 54 369.49 3 ↓
Lo Low (pH 4.5-6) 1.77 -0.7 -44.69 1 5 1 55 370.498 3 ↓

Analogs

39677254
39677254
39677255
39677255
39681167
39681167
39681168
39681168
39681169
39681169

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-methylthiophene-2-carbonyl)-7-(3-pyridylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-(3-methylthiophene-2-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.77 -1.19 -13.59 0 5 0 54 369.49 3 ↓
Lo Low (pH 4.5-6) 1.77 -1.07 -45.53 1 5 1 55 370.498 3 ↓

Analogs

11821083
11821083

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(5-methylthiophene-2-carbonyl)-7-(3-pyridylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-(5-methylthiophene-2-carb…

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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) 1.62 -1.4 -17.08 0 5 0 54 369.49 3 ↓
Lo Low (pH 4.5-6) 1.62 -1.29 -45.42 1 5 1 55 370.498 3 ↓

Analogs

11821082
11821082

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(5-methylthiophene-2-carbonyl)-7-(3-pyridylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-(5-methylthiophene-2-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.62 -1.41 -14.15 0 5 0 54 369.49 3 ↓
Lo Low (pH 4.5-6) 1.62 -1.29 -46.44 1 5 1 55 370.498 3 ↓

Parameters Provided:

ring.id = 53272
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 = 53272 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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