UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 2.98 11.02 -17.66 0 6 0 67 394.899 8 ↓

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) 2.46 10.65 -18.43 0 6 0 67 378.444 8 ↓

Analogs

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Popular Name: (3R,6S)-6-methyl-1-[2-[3-(p-tolyl)propanoylamino]acetyl]piperidine-3-carboxamide (3R,6S)-6-methyl-1-[2-[3-(p-toly…

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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) 1.38 4.82 -15.08 3 6 0 93 345.443 6 ↓

Analogs

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Popular Name: (3S,6S)-6-methyl-1-[2-[3-(p-tolyl)propanoylamino]acetyl]piperidine-3-carboxamide (3S,6S)-6-methyl-1-[2-[3-(p-toly…

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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) 1.38 4.64 -12.67 3 6 0 93 345.443 6 ↓

Analogs

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Popular Name: (3R,6R)-6-methyl-1-[2-[3-(p-tolyl)propanoylamino]acetyl]piperidine-3-carboxamide (3R,6R)-6-methyl-1-[2-[3-(p-toly…

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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) 1.38 4.61 -12.68 3 6 0 93 345.443 6 ↓

Analogs

44807065
44807065
44807067
44807067
44807071
44807071

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Popular Name: (3S,6R)-6-methyl-1-[2-[3-(p-tolyl)propanoylamino]acetyl]piperidine-3-carboxamide (3S,6R)-6-methyl-1-[2-[3-(p-toly…

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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) 1.38 4.6 -13.14 3 6 0 93 345.443 6 ↓

Analogs

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Popular Name: (3S)-1-[2-[3-(p-tolyl)propanoylamino]acetyl]piperidine-3-carboxamide (3S)-1-[2-[3-(p-tolyl)propanoyla…

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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) 1.04 4.01 -12.49 3 6 0 93 331.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[3-(p-tolyl)propanoylamino]acetyl]piperidine-3-carboxamide (3R)-1-[2-[3-(p-tolyl)propanoyla…

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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) 1.04 4.02 -12.47 3 6 0 93 331.416 6 ↓

Analogs

57219879
57219879

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Popular Name: N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]-3-phenyl-propanamide N-[(1S)-1-methyl-2-oxo-2-(1-pipe…

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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) 2.33 7.34 -8.09 1 4 0 49 288.391 5 ↓

Analogs

57220221
57220221
25391163
25391163

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Popular Name: 3-(4-methoxyphenyl)-N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]propanamide 3-(4-methoxyphenyl)-N-[(1S)-1-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) 2.39 6.63 -9.56 1 5 0 59 318.417 6 ↓

Parameters Provided:

ring.id = 120032
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 = 120032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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