UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25767615
25767615

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-[(5R,10R)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]deca N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.59 5.94 -19.14 2 7 0 91 362.455 3 ↓
Hi High (pH 8-9.5) 2.40 4.85 -55.78 1 7 -1 98 361.447 3 ↓

Analogs

25767615
25767615

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-[(5R,10S)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]deca N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.59 6.57 -22.88 2 7 0 91 362.455 3 ↓
Hi High (pH 8-9.5) 2.40 5.49 -56.18 1 7 -1 98 361.447 3 ↓

Analogs

25767615
25767615

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-[(5S,10R)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]deca N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.59 6.25 -18.03 2 7 0 91 362.455 3 ↓
Hi High (pH 8-9.5) 2.40 5.16 -53.49 1 7 -1 98 361.447 3 ↓

Analogs

25767615
25767615

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-[(5S,10S)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]deca N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.59 6.24 -24.22 2 7 0 91 362.455 3 ↓
Hi High (pH 8-9.5) 2.40 5.16 -58.73 1 7 -1 98 361.447 3 ↓

Analogs

25767615
25767615
25768374
25768374

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)ace N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.12 6.44 -20.23 2 7 0 91 362.455 3 ↓

Analogs

25767615
25767615
25768374
25768374

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acet N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.80 6.74 -21.02 2 7 0 91 376.482 4 ↓

Parameters Provided:

ring.id = 136368
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 = 136368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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