UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-propenamide, 3-(2-chlorophenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(2-chlorophenyl…

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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) 3.77 10.02 -16.67 1 4 0 49 368.864 4 ↓

Analogs

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Popular Name: 2-propenamide, 3-(2-methoxyphenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(2-methoxypheny…

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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) 3.15 8.97 -23.84 1 5 0 59 364.445 5 ↓

Analogs

736796
736796
4191723
4191723

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Popular Name: 2-propenamide, 3-phenyl-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-phenyl-N-[3-(1-…

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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) 3.32 9.6 -20.44 1 4 0 49 334.419 4 ↓

Analogs

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Popular Name: 2-propenamide, 3-(4-methoxyphenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(4-methoxypheny…

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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) 3.38 8.92 -21.69 1 5 0 59 364.445 5 ↓

Analogs

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Popular Name: 2-propenamide, 3-(3,4-dimethoxyphenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(3,4-dimethoxyp…

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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) 2.97 8.83 -24.18 1 6 0 68 394.471 6 ↓

Analogs

736796
736796
4191723
4191723

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Popular Name: 2-propenamide, 3-(4-methylphenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(4-methylphenyl…

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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) 3.77 10.28 -20.39 1 4 0 49 348.446 4 ↓

Analogs

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Popular Name: 2-propenamide, 3-(3-nitrophenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(3-nitrophenyl)…

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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) 3.25 10.3 -27.12 1 7 0 95 379.416 5 ↓

Analogs

736737
736737
736739
736739

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Popular Name: 2-propenamide, 3-(4-nitrophenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(4-nitrophenyl)…

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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) 3.28 10.27 -24.05 1 7 0 95 379.416 5 ↓

Analogs

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Popular Name: 2-propenamide, 3-(4-chlorophenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(4-chlorophenyl…

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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) 4.00 10.12 -20.11 1 4 0 49 368.864 4 ↓

Analogs

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Popular Name: 2-propenamide, 3-(4-ethoxyphenyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- 2-propenamide, 3-(4-ethoxyphenyl…

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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) 3.75 9.84 -21.53 1 5 0 59 378.472 6 ↓

Parameters Provided:

ring.id = 248845
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 = 248845 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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