UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N-bis(cyanomethyl)-3-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide N,N-bis(cyanomethyl)-3-(1-cyclop…

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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) -0.13 8 -46.34 1 7 1 90 313.385 6 ↓
Hi High (pH 8-9.5) -0.13 7.54 -20.47 0 7 0 89 312.377 6 ↓
Lo Low (pH 4.5-6) -0.13 9.78 -55.83 1 7 1 90 313.385 6 ↓

Analogs

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Popular Name: 1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-methyl-propan-2-ol 1-(1-cyclopropyl-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) 0.86 5.42 -26.74 2 4 1 43 236.339 3 ↓
Hi High (pH 8-9.5) 0.86 4.96 -9.52 1 4 0 41 235.331 3 ↓
Mid Mid (pH 6-8) 0.86 6.66 -38.66 2 4 1 42 236.339 3 ↓

Analogs

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Popular Name: 3-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N,N-dimethyl-propane-1-sulfonamide 3-(1-cyclopropyl-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) 0.36 5.06 -37.15 1 6 1 60 313.447 6 ↓
Hi High (pH 8-9.5) 0.36 4.66 -17.58 0 6 0 58 312.439 6 ↓
Lo Low (pH 4.5-6) 0.36 6.87 -53.01 1 6 1 60 313.447 6 ↓

Parameters Provided:

ring.id = 353723
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 = 353723 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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