UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: dimethyl(3-pyridylmethyl)BLAHone dimethyl(3-pyridylmethyl)BLAHone

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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) 2.74 11.04 -9.1 0 6 0 65 365.462 2 ↓
Lo Low (pH 4.5-6) 2.74 11.51 -37.35 1 6 1 66 366.47 2 ↓

Analogs

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Popular Name: dimethyl(3-pyridylmethyl)BLAHone dimethyl(3-pyridylmethyl)BLAHone

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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) 2.74 11.04 -9.05 0 6 0 65 365.462 2 ↓
Lo Low (pH 4.5-6) 2.74 11.51 -37.32 1 6 1 66 366.47 2 ↓

Analogs

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Popular Name: dimethyl(4-pyridylmethyl)BLAHone dimethyl(4-pyridylmethyl)BLAHone

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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) 2.69 11.06 -9.19 0 6 0 65 365.462 2 ↓
Lo Low (pH 4.5-6) 2.69 11.52 -37.03 1 6 1 66 366.47 2 ↓

Analogs

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Popular Name: dimethyl(4-pyridylmethyl)BLAHone dimethyl(4-pyridylmethyl)BLAHone

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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) 2.69 11.06 -9.17 0 6 0 65 365.462 2 ↓
Lo Low (pH 4.5-6) 2.69 11.52 -37.08 1 6 1 66 366.47 2 ↓

Analogs

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Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-dimethyl-BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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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) 2.30 10.63 -15.78 0 8 0 82 429.546 2 ↓

Analogs

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Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-dimethyl-BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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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) 2.30 10.63 -15.74 0 8 0 82 429.546 2 ↓

Analogs

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Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-dimethyl-BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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) 2.30 10.77 -15.9 0 8 0 82 429.546 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-dimethyl-BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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) 2.30 10.77 -15.84 0 8 0 82 429.546 2 ↓

Analogs

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Popular Name: [2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]BLAHone [2-[(3S,5R)-3,5-dimethyl-1-piper…

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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) 2.79 12.2 -15.75 0 7 0 73 399.52 2 ↓

Analogs

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Popular Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]BLAHone [2-[(3S,5S)-3,5-dimethyl-1-piper…

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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) 2.79 12.44 -16.17 0 7 0 73 399.52 2 ↓

Analogs

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Popular Name: [2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]BLAHone [2-[(3R,5R)-3,5-dimethyl-1-piper…

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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) 2.79 12.44 -15.6 0 7 0 73 399.52 2 ↓

Analogs

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Popular Name: [2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]BLAHone [2-[(2R)-2-methyl-1-piperidyl]-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) 2.41 11.63 -15.2 0 7 0 73 385.493 2 ↓

Analogs

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Popular Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]BLAHone [2-[(2S)-2-methyl-1-piperidyl]-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) 2.41 11.62 -14.98 0 7 0 73 385.493 2 ↓

Parameters Provided:

ring.id = 172662
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 = 172662 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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