UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)propyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-1-(2-thienyl)propyl]thie…

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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) 4.15 8.93 -29.62 2 2 1 26 275.422 4 ↓
Hi High (pH 8-9.5) 4.15 8.7 -4.89 1 2 0 25 274.414 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-thienyl)propyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-1-(2-thienyl)propyl]thie…

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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) 4.15 8.93 -29.61 2 2 1 26 275.422 4 ↓
Hi High (pH 8-9.5) 4.15 8.7 -4.89 1 2 0 25 274.414 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)butyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-1-(2-thienyl)butyl]thien…

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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) 4.71 9.67 -29.98 2 2 1 26 289.449 5 ↓
Hi High (pH 8-9.5) 4.71 9.44 -4.78 1 2 0 25 288.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-thienyl)butyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-1-(2-thienyl)butyl]thien…

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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) 4.71 9.67 -29.95 2 2 1 26 289.449 5 ↓
Hi High (pH 8-9.5) 4.71 9.44 -4.78 1 2 0 25 288.441 5 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]thieno[3,2-c]pyridin-4-amine 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) 4.39 9.35 -29.64 2 2 1 26 289.449 4 ↓
Hi High (pH 8-9.5) 4.39 9.14 -4.79 1 2 0 25 288.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-2-methyl-1-(2-thienyl)pr…

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) 4.39 9.35 -29.58 2 2 1 26 289.449 4 ↓
Hi High (pH 8-9.5) 4.39 9.14 -4.79 1 2 0 25 288.441 4 ↓

Parameters Provided:

ring.id = 580055
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 = 580055 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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