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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: 2,2,6,6-tetramethyl-N-[(1-methylpyrrol-2-yl)methyl]piperidin-4-amine 2,2,6,6-tetramethyl-N-[(1-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) 2.51 5.79 -36.34 3 3 1 34 250.41 3 ↓
Mid Mid (pH 6-8) 2.51 7.07 -105.37 4 3 2 38 251.418 3 ↓

Analogs

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Popular Name: 1-isopropyl-N-[(1-methylpyrrol-2-yl)methyl]piperidin-4-amine 1-isopropyl-N-[(1-methylpyrrol-2…

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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) 1.81 6.81 -37.14 2 3 1 21 236.383 4 ↓
Lo Low (pH 4.5-6) 1.81 8.09 -108.1 3 3 2 26 237.391 4 ↓
Lo Low (pH 4.5-6) 1.81 5.84 -40.13 2 3 1 25 236.383 4 ↓

Analogs

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Popular Name: ethyl 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) 1.59 6.8 -51.34 2 5 1 51 266.365 5 ↓
Hi High (pH 8-9.5) 1.59 5.51 -9.61 1 5 0 47 265.357 5 ↓

Analogs

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Popular Name: N-[(1-methylpyrrol-2-yl)methyl]-1-propyl-piperidin-4-amine N-[(1-methylpyrrol-2-yl)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) 2.02 7.15 -38.58 2 3 1 21 236.383 5 ↓
Lo Low (pH 4.5-6) 2.02 8.43 -109.73 3 3 2 26 237.391 5 ↓
Lo Low (pH 4.5-6) 2.02 6.08 -40.49 2 3 1 25 236.383 5 ↓

Analogs

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Popular Name: 1-[4-[(1-methylpyrrol-2-yl)methylamino]-1-piperidyl]ethanone 1-[4-[(1-methylpyrrol-2-yl)methy…

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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) 0.50 5.84 -51.17 2 4 1 42 236.339 3 ↓
Hi High (pH 8-9.5) 0.50 4.65 -11.51 1 4 0 37 235.331 3 ↓

Parameters Provided:

ring.id = 71977
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 = 71977 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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