UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one 3-[(4R)-4,5,6,7-tetrahydro-1H-im…

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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) 0.93 4.97 -40.32 4 5 1 78 267.312 1 ↓
Hi High (pH 8-9.5) 0.93 3.84 -14.57 3 5 0 74 266.304 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one 3-[(4S)-4,5,6,7-tetrahydro-1H-im…

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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) 0.93 4.97 -40.32 4 5 1 78 267.312 1 ↓
Hi High (pH 8-9.5) 0.93 3.65 -12.67 3 5 0 74 266.304 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6,7-trimethoxy-3-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one 5,6,7-trimethoxy-3-[(4R)-4,5,6,7…

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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) 1.04 4.25 -42 4 8 1 106 357.39 4 ↓
Hi High (pH 8-9.5) 1.04 3.1 -16.34 3 8 0 101 356.382 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6,7-trimethoxy-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one 5,6,7-trimethoxy-3-[(4S)-4,5,6,7…

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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) 1.04 4.25 -43.27 4 8 1 106 357.39 4 ↓
Hi High (pH 8-9.5) 1.04 2.91 -14.24 3 8 0 101 356.382 4 ↓

Parameters Provided:

ring.id = 598260
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 = 598260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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