UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-chlorophenyl)methyl-oxo-(pyrrolidine-1-carbonyl)BLAHone (4-chlorophenyl)methyl-oxo-(pyrr…

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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) 4.04 11.24 -30.89 0 5 0 58 464.974 3 ↓

Analogs

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Popular Name: (4-chlorophenyl)methyl-oxo-(pyrrolidine-1-carbonyl)BLAHone (4-chlorophenyl)methyl-oxo-(pyrr…

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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) 4.04 11.27 -31.06 0 5 0 58 464.974 3 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl-oxo-(pyrrolidine-1-carbonyl)BLAHone (2-fluorophenyl)methyl-oxo-(pyrr…

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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) 3.48 10.59 -33.41 0 5 0 58 448.519 3 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl-oxo-(pyrrolidine-1-carbonyl)BLAHone (2-fluorophenyl)methyl-oxo-(pyrr…

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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) 3.48 10.79 -36.13 0 5 0 58 448.519 3 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl-oxo-(pyrrolidine-1-carbonyl)BLAHone (4-fluorophenyl)methyl-oxo-(pyrr…

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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) 3.53 10.79 -31.14 0 5 0 58 448.519 3 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl-oxo-(pyrrolidine-1-carbonyl)BLAHone (4-fluorophenyl)methyl-oxo-(pyrr…

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Activity (Go SEA)

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) 3.53 10.82 -31.36 0 5 0 58 448.519 3 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl-oxo-(pyrrolidine-1-carbonyl)BLAHone (2,5-dimethylphenyl)methyl-oxo-(…

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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) 4.19 11.61 -31.21 0 5 0 58 458.583 3 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl-oxo-(pyrrolidine-1-carbonyl)BLAHone (2,5-dimethylphenyl)methyl-oxo-(…

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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) 4.19 12.1 -35.26 0 5 0 58 458.583 3 ↓

Analogs

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Popular Name: benzyl-oxo-(pyrrolidine-1-carbonyl)BLAHone benzyl-oxo-(pyrrolidine-1-carbon…

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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) 3.36 10.71 -33.9 0 5 0 58 430.529 3 ↓

Analogs

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Popular Name: benzyl-oxo-(pyrrolidine-1-carbonyl)BLAHone benzyl-oxo-(pyrrolidine-1-carbon…

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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) 3.36 10.75 -33.68 0 5 0 58 430.529 3 ↓

Parameters Provided:

ring.id = 70098
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 = 70098 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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