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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(cyclopropylamino)ethyl]-3-nitro-pyridin-2-one 1-[2-(cyclopropylamino)ethyl]-3-…

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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) 0.39 6.68 -65.2 2 6 1 84 224.24 5 ↓

Analogs

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Popular Name: 5-amino-1-[2-[cyclopropyl(ethyl)amino]ethyl]pyridin-2-one 5-amino-1-[2-[cyclopropyl(ethyl)…

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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) 0.85 5.45 -37.6 3 4 1 52 222.312 5 ↓

Analogs

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Popular Name: 5-amino-1-[2-[cyclopropyl(methyl)amino]ethyl]pyridin-2-one 5-amino-1-[2-[cyclopropyl(methyl…

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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) 0.48 4.79 -38.95 3 4 1 52 208.285 4 ↓

Analogs

43415726
43415726

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Popular Name: 5-amino-1-[2-[cyclopropyl(propyl)amino]ethyl]pyridin-2-one 5-amino-1-[2-[cyclopropyl(propyl…

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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) 1.36 6.19 -38.24 3 4 1 52 236.339 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(cyclopropylamino)ethyl]-3-methyl-pyridin-2-one 1-[2-(cyclopropylamino)ethyl]-3-…

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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) 0.88 5.74 -45.28 2 3 1 39 193.27 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2-[cyclopropyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one 5-amino-1-[2-[cyclopropyl(2-hydr…

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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) -0.15 2.17 -36.63 4 5 1 73 238.311 6 ↓

Parameters Provided:

ring.id = 10885
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 = 10885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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