UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-methyl-3-(4-oxocinnolin-1-yl)propanamide N-[(5-chloro-2-thienyl)methyl]-N…

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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) 2.13 9.07 -12.74 0 5 0 55 361.854 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-ethyl-3-(4-oxocinnolin-1-yl)propanamide N-[(5-chloro-2-thienyl)methyl]-N…

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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) 2.50 9.98 -12.15 0 5 0 55 375.881 6 ↓

Analogs

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Popular Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide N-allyl-N-[(5-chloro-2-thienyl)m…

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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) 2.77 10.58 -11.72 0 5 0 55 387.892 7 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]-3-(4-oxocinnolin-1-yl)propanamide N-[(1S)-2-methyl-1-(2-thienyl)pr…

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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) 2.39 8.48 -11.37 1 5 0 64 355.463 6 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-3-(4-oxocinnolin-1-yl)propanamide N-[(1R)-2-methyl-1-(2-thienyl)pr…

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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) 2.39 8.47 -11.5 1 5 0 64 355.463 6 ↓

Parameters Provided:

ring.id = 37040
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 = 37040 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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