UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(4-fluoroanilino)ethyl]cinnolin-4-one 1-[2-(4-fluoroanilino)ethyl]cinn…

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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) 2.05 7.07 -13.07 1 4 0 47 283.306 4 ↓

Analogs

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Popular Name: 1-[2-(2-bromoanilino)ethyl]cinnolin-4-one 1-[2-(2-bromoanilino)ethyl]cinno…

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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) 2.65 7.72 -10.33 1 4 0 47 344.212 4 ↓

Analogs

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Popular Name: 1-[2-(2-chloroanilino)ethyl]cinnolin-4-one 1-[2-(2-chloroanilino)ethyl]cinn…

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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) 2.52 7.59 -10.35 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 1-[2-(3-methylanilino)ethyl]cinnolin-4-one 1-[2-(3-methylanilino)ethyl]cinn…

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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) 2.31 7.66 -11.42 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 1-[2-(4-methylanilino)ethyl]cinnolin-4-one 1-[2-(4-methylanilino)ethyl]cinn…

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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) 2.34 7.67 -11.38 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 1-[2-(4-chloroanilino)ethyl]cinnolin-4-one 1-[2-(4-chloroanilino)ethyl]cinn…

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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) 2.57 7.52 -12.14 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 1-[2-(2-fluoroanilino)ethyl]cinnolin-4-one 1-[2-(2-fluoroanilino)ethyl]cinn…

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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) 2.00 7.09 -11 1 4 0 47 283.306 4 ↓

Analogs

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Popular Name: 1-[2-(3-chloroanilino)ethyl]cinnolin-4-one 1-[2-(3-chloroanilino)ethyl]cinn…

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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) 2.54 7.52 -11.53 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 1-[2-(3-fluoroanilino)ethyl]cinnolin-4-one 1-[2-(3-fluoroanilino)ethyl]cinn…

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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) 2.03 7.07 -12.16 1 4 0 47 283.306 4 ↓

Analogs

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Popular Name: 1-[2-(3-bromoanilino)ethyl]cinnolin-4-one 1-[2-(3-bromoanilino)ethyl]cinno…

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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) 2.67 7.62 -11.44 1 4 0 47 344.212 4 ↓

Analogs

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Popular Name: 1-[2-(2-methylanilino)ethyl]cinnolin-4-one 1-[2-(2-methylanilino)ethyl]cinn…

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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) 2.29 7.8 -11.4 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 1-[2-(4-bromoanilino)ethyl]cinnolin-4-one 1-[2-(4-bromoanilino)ethyl]cinno…

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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) 2.70 7.62 -12.13 1 4 0 47 344.212 4 ↓

Analogs

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Popular Name: 1-(2-anilinoethyl)cinnolin-4-one 1-(2-anilinoethyl)cinnolin-4-one

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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) 1.89 7 -11.36 1 4 0 47 265.316 4 ↓

Parameters Provided:

ring.id = 74778
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 = 74778 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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