UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39302260
39302260

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Popular Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-6-pyrrolidin-1-yl-pyridine-3-carboxamide N-[(3-fluoro-4-methoxy-phenyl)me…

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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) 2.06 8.73 -18.16 0 5 0 46 343.402 5 ↓
Lo Low (pH 4.5-6) 2.06 9.15 -37.8 1 5 1 47 344.41 5 ↓

Analogs

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Popular Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-6-pyrrolidin-1-yl-pyridine-3-carboxamide N-[[4-[(2-amino-2-oxo-ethyl)carb…

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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) 0.06 2.9 -16.26 4 8 0 117 381.436 7 ↓
Lo Low (pH 4.5-6) 0.06 3.32 -39.47 5 8 1 119 382.444 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-6-pyrrolidin-1-yl-pyridine-3-carboxamide N-[(1S)-1-(2-methoxyphenyl)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) 2.48 9.01 -13.94 0 5 0 46 339.439 5 ↓
Lo Low (pH 4.5-6) 2.48 9.43 -32.7 1 5 1 47 340.447 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-6-pyrrolidin-1-yl-pyridine-3-carboxamide N-[(1R)-1-(2-methoxyphenyl)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) 2.48 9.03 -13.18 0 5 0 46 339.439 5 ↓
Lo Low (pH 4.5-6) 2.48 9.46 -32.47 1 5 1 47 340.447 5 ↓

Analogs

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Popular Name: methyl 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) 2.31 8.25 -12.12 1 6 0 72 339.395 6 ↓
Lo Low (pH 4.5-6) 2.31 8.67 -36.23 2 6 1 73 340.403 6 ↓

Analogs

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-6-pyrrolidin-1-yl-pyridine-3-carboxamide N-[(2,5-dimethoxyphenyl)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) 2.18 6.21 -11.25 1 6 0 64 341.411 6 ↓
Lo Low (pH 4.5-6) 2.18 6.64 -32.07 2 6 1 65 342.419 6 ↓

Parameters Provided:

ring.id = 181492
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 = 181492 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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