UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pro (2S)-2-(1-methyl-6,7-dihydro-4H-…

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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) -0.72 4.28 -32.84 2 6 1 61 293.391 4 ↓
Hi High (pH 8-9.5) -0.72 3.82 -17.22 1 6 0 59 292.383 4 ↓
Lo Low (pH 4.5-6) -0.72 5.88 -36.32 2 6 1 61 293.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pro (2R)-2-(1-methyl-6,7-dihydro-4H-…

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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) -0.72 4.2 -35.25 2 6 1 61 293.391 4 ↓
Hi High (pH 8-9.5) -0.72 3.73 -12.58 1 6 0 59 292.383 4 ↓
Lo Low (pH 4.5-6) -0.72 6.06 -40.47 2 6 1 61 293.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pro (2S)-2-(1-methyl-6,7-dihydro-4H-…

Find On: PubMed — Wikipedia — Google

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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) -0.72 4.31 -33.18 2 6 1 61 293.391 4 ↓
Hi High (pH 8-9.5) -0.72 3.85 -16.67 1 6 0 59 292.383 4 ↓
Lo Low (pH 4.5-6) -0.72 5.92 -35.37 2 6 1 61 293.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pro (2R)-2-(1-methyl-6,7-dihydro-4H-…

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) -0.72 4.24 -35.35 2 6 1 61 293.391 4 ↓
Hi High (pH 8-9.5) -0.72 3.77 -12.03 1 6 0 59 292.383 4 ↓
Lo Low (pH 4.5-6) -0.72 6.08 -40.14 2 6 1 61 293.391 4 ↓

Parameters Provided:

ring.id = 377933
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 = 377933 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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