UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-(o-tolylmethyl)-dioxo-BLAHcarboxamide N-cyclopropyl-(o-tolylmethyl)-di…

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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) 3.95 10.06 -31.27 1 5 0 66 430.529 4 ↓

Analogs

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Popular Name: N-cyclopropyl-(o-tolylmethyl)-dioxo-BLAHcarboxamide N-cyclopropyl-(o-tolylmethyl)-di…

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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) 3.95 10.44 -34.6 1 5 0 66 430.529 4 ↓

Analogs

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Popular Name: (4-chlorophenyl)methyl-N-cyclopropyl-dioxo-BLAHcarboxamide (4-chlorophenyl)methyl-N-cyclopr…

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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) 4.23 10.26 -31.61 1 5 0 66 450.947 4 ↓

Analogs

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Popular Name: (4-chlorophenyl)methyl-N-cyclopropyl-dioxo-BLAHcarboxamide (4-chlorophenyl)methyl-N-cyclopr…

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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) 4.23 10.26 -31.69 1 5 0 66 450.947 4 ↓

Analogs

8597564
8597564
8597566
8597566

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Popular Name: N-cyclopropyl-[(2-fluorophenyl)methyl]-dioxo-BLAHcarboxamide N-cyclopropyl-[(2-fluorophenyl)m…

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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) 3.67 9.59 -33.64 1 5 0 66 434.492 4 ↓

Analogs

8597564
8597564
8597566
8597566

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-[(2-fluorophenyl)methyl]-dioxo-BLAHcarboxamide N-cyclopropyl-[(2-fluorophenyl)m…

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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) 3.67 9.78 -36.64 1 5 0 66 434.492 4 ↓

Analogs

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Popular Name: N-cyclopropyl-[(4-fluorophenyl)methyl]-dioxo-BLAHcarboxamide N-cyclopropyl-[(4-fluorophenyl)m…

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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) 3.72 9.8 -31.91 1 5 0 66 434.492 4 ↓

Analogs

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Popular Name: N-cyclopropyl-[(4-fluorophenyl)methyl]-dioxo-BLAHcarboxamide N-cyclopropyl-[(4-fluorophenyl)m…

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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) 3.72 9.8 -31.94 1 5 0 66 434.492 4 ↓

Analogs

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Popular Name: N-cyclopropyl-[(2,5-dimethylphenyl)methyl]-dioxo-BLAHcarboxamide N-cyclopropyl-[(2,5-dimethylphen…

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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) 4.38 10.5 -34.59 1 5 0 66 444.556 4 ↓

Analogs

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Popular Name: N-cyclopropyl-[(2,5-dimethylphenyl)methyl]-dioxo-BLAHcarboxamide N-cyclopropyl-[(2,5-dimethylphen…

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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) 4.38 11.02 -34.69 1 5 0 66 444.556 4 ↓

Parameters Provided:

ring.id = 70080
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 = 70080 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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