UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39302272
39302272
39302270
39302270

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Popular Name: 6-(cyclopropylamino)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide 6-(cyclopropylamino)-N-[[(3S)-1-…

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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) 1.92 6.51 -47.39 3 5 1 58 343.373 7 ↓
Mid Mid (pH 6-8) 1.92 4.18 -9.79 2 5 0 57 342.365 7 ↓

Analogs

39302272
39302272

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(cyclopropylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide 6-(cyclopropylamino)-N-[[(3R)-1-…

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) 1.92 6.48 -47.86 3 5 1 58 343.373 7 ↓
Mid Mid (pH 6-8) 1.92 4.15 -10.65 2 5 0 57 342.365 7 ↓

Analogs

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Popular Name: 6-(cyclopropylamino)-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide 6-(cyclopropylamino)-N-[[(3R)-1-…

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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) 1.66 6.75 -39.79 3 5 1 58 303.43 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(cyclopropylamino)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide 6-(cyclopropylamino)-N-[[(3S)-1-…

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) 1.66 6.75 -40.35 3 5 1 58 303.43 6 ↓

Parameters Provided:

ring.id = 185262
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 = 185262 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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