UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 1-[(3-aminophenyl)methyl]cinnolin-4-one 1-[(3-aminophenyl)methyl]cinnoli…

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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) 1.05 5.74 -11.59 2 4 0 61 251.289 2 ↓

Analogs

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Popular Name: 1-[(2-aminophenyl)methyl]cinnolin-4-one 1-[(2-aminophenyl)methyl]cinnoli…

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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) 1.44 6.14 -11.21 2 4 0 61 251.289 2 ↓

Analogs

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Popular Name: 1-[(2-amino-5-fluoro-phenyl)methyl]cinnolin-4-one 1-[(2-amino-5-fluoro-phenyl)meth…

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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) 1.58 6.21 -11.54 2 4 0 61 269.279 2 ↓

Analogs

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Popular Name: 1-[(2-amino-6-bromo-phenyl)methyl]cinnolin-4-one 1-[(2-amino-6-bromo-phenyl)methy…

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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) 2.20 6.94 -12.92 2 4 0 61 330.185 2 ↓

Analogs

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Popular Name: 1-[(3-amino-4-chloro-phenyl)methyl]cinnolin-4-one 1-[(3-amino-4-chloro-phenyl)meth…

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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) 2.09 6.32 -12.25 2 4 0 61 285.734 2 ↓

Analogs

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Popular Name: 1-[(5-amino-2-chloro-phenyl)methyl]cinnolin-4-one 1-[(5-amino-2-chloro-phenyl)meth…

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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) 1.68 6.33 -13.1 2 4 0 61 285.734 2 ↓

Analogs

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Popular Name: 1-[(3-amino-4-methoxy-phenyl)methyl]cinnolin-4-one 1-[(3-amino-4-methoxy-phenyl)met…

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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) 1.47 5.17 -12.9 2 5 0 70 281.315 3 ↓

Analogs

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Popular Name: 1-[(5-amino-2-methoxy-phenyl)methyl]cinnolin-4-one 1-[(5-amino-2-methoxy-phenyl)met…

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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) 1.06 5.24 -13.18 2 5 0 70 281.315 3 ↓

Analogs

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Popular Name: 1-[(3-amino-2-methyl-phenyl)methyl]cinnolin-4-one 1-[(3-amino-2-methyl-phenyl)meth…

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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) 1.84 6.58 -11.5 2 4 0 61 265.316 2 ↓

Analogs

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Popular Name: 1-[[4-(aminomethyl)phenyl]methyl]cinnolin-4-one 1-[[4-(aminomethyl)phenyl]methyl…

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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) 1.19 5.91 -53.45 3 4 1 63 266.324 3 ↓

Analogs

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Popular Name: 1-[[2-(aminomethyl)phenyl]methyl]cinnolin-4-one 1-[[2-(aminomethyl)phenyl]methyl…

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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) 1.14 6.1 -53.87 3 4 1 63 266.324 3 ↓

Analogs

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Popular Name: 1-[[5-(aminomethyl)-2-fluoro-phenyl]methyl]cinnolin-4-one 1-[[5-(aminomethyl)-2-fluoro-phe…

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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) 1.28 6.05 -70.02 3 4 1 63 284.314 3 ↓

Analogs

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Popular Name: 1-[[4-(aminomethyl)-2-fluoro-phenyl]methyl]cinnolin-4-one 1-[[4-(aminomethyl)-2-fluoro-phe…

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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) 1.28 6 -59.22 3 4 1 63 284.314 3 ↓
Hi High (pH 8-9.5) 1.28 5.6 -13.61 2 4 0 61 283.306 3 ↓

Analogs

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Popular Name: 1-[[3-(aminomethyl)phenyl]methyl]cinnolin-4-one 1-[[3-(aminomethyl)phenyl]methyl…

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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) 1.16 5.9 -51.54 3 4 1 63 266.324 3 ↓

Analogs

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Popular Name: 4-[(4-oxocinnolin-1-yl)methyl]benzenecarbothioamide 4-[(4-oxocinnolin-1-yl)methyl]be…

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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) 1.80 7.1 -21.59 2 4 0 61 295.367 3 ↓

Analogs

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Popular Name: 2-[(4-oxocinnolin-1-yl)methyl]benzenecarbothioamide 2-[(4-oxocinnolin-1-yl)methyl]be…

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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) 1.75 6.95 -16.29 2 4 0 61 295.367 3 ↓

Analogs

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Popular Name: 3-[(4-oxocinnolin-1-yl)methyl]benzenecarbothioamide 3-[(4-oxocinnolin-1-yl)methyl]be…

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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) 1.78 7.09 -24.4 2 4 0 61 295.367 3 ↓

Parameters Provided:

ring.id = 115841
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 = 115841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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