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

Analogs

4855588
4855588

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Popular Name: 3-fluoro-4-methyl-N-[3-oxo-3-(4-pyridylmethylamino)propyl]benzamide 3-fluoro-4-methyl-N-[3-oxo-3-(4-…

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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) 1.16 4.69 -16.17 2 5 0 71 315.348 6 ↓
Lo Low (pH 4.5-6) 1.16 5.15 -49.63 3 5 1 72 316.356 6 ↓

Analogs

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Popular Name: 3-methoxy-4-methyl-N-[3-oxo-3-(4-pyridylmethylamino)propyl]benzamide 3-methoxy-4-methyl-N-[3-oxo-3-(4…

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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) 1.05 4.01 -19.49 2 6 0 80 327.384 7 ↓
Lo Low (pH 4.5-6) 1.05 4.47 -53.68 3 6 1 82 328.392 7 ↓

Analogs

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Popular Name: 2,4-dimethoxy-N-[3-oxo-3-(4-pyridylmethylamino)propyl]benzamide 2,4-dimethoxy-N-[3-oxo-3-(4-pyri…

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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) 1.21 3.85 -22.5 2 7 0 90 343.383 8 ↓
Lo Low (pH 4.5-6) 1.21 4.31 -56.5 3 7 1 91 344.391 8 ↓

Analogs

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Popular Name: 4-chloro-2-fluoro-N-[3-oxo-3-(4-pyridylmethylamino)propyl]benzamide 4-chloro-2-fluoro-N-[3-oxo-3-(4-…

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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) 1.39 4.58 -21.25 2 5 0 71 335.766 6 ↓
Lo Low (pH 4.5-6) 1.39 5.03 -55.83 3 5 1 72 336.774 6 ↓

Analogs

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Popular Name: 3-(methoxymethyl)-N-[3-oxo-3-(4-pyridylmethylamino)propyl]benzamide 3-(methoxymethyl)-N-[3-oxo-3-(4-…

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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) 0.55 3.7 -20.41 2 6 0 80 327.384 8 ↓
Lo Low (pH 4.5-6) 0.55 4.16 -54.26 3 6 1 82 328.392 8 ↓

Parameters Provided:

ring.id = 36650
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 = 36650 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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