UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

53122849
53122849
53122852
53122852
40917980
40917980
40917981
40917981

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(4aR,7aS)-1-cyclopentyl-4-hydroxy-2-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3-yl]-1,1 N-[3-[(4aR,7aS)-1-cyclopentyl-4-…

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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) 1.44 2.46 -26.5 1 10 0 144 493.587 4 ↓
Hi High (pH 8-9.5) 2.02 2.58 -218.97 0 10 -3 152 491.571 4 ↓
Mid Mid (pH 6-8) 1.44 2.15 -22.47 0 10 0 146 492.579 4 ↓

Analogs

40917980
40917980
40917981
40917981

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(4aR,7aR)-1-cyclopentyl-4-hydroxy-2-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3-yl]-1,1 N-[3-[(4aR,7aR)-1-cyclopentyl-4-…

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) 1.44 3.28 -28.86 1 10 0 144 493.587 4 ↓
Hi High (pH 8-9.5) 2.02 2.57 -214.98 0 10 -3 152 491.571 4 ↓
Mid Mid (pH 6-8) 1.44 2.79 -26.44 1 10 0 144 493.587 4 ↓

Analogs

40917980
40917980
40917981
40917981

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(4aS,7aR)-1-cyclopentyl-4-hydroxy-2-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3-yl]-1,1 N-[3-[(4aS,7aR)-1-cyclopentyl-4-…

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) 1.44 3.19 -29.75 1 10 0 144 493.587 4 ↓
Hi High (pH 8-9.5) 2.02 2.97 -219.7 0 10 -3 152 491.571 4 ↓
Mid Mid (pH 6-8) 1.44 2.8 -23.4 0 10 0 146 492.579 4 ↓

Parameters Provided:

ring.id = 590954
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 = 590954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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