UCSF
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Analogs

4293187
4293187

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Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-5-oxo-4-(phenylhydrazono)-1H-pyrazol-3-yl]quinolin-2-one 4-hydroxy-1-methyl-3-[(4Z)-5-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) 2.12 2.87 -142.09 1 8 -2 118 359.345 3 ↓
Lo Low (pH 4.5-6) 1.67 4.39 -53.75 2 8 -1 115 360.353 3 ↓

Analogs

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Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-4-[(4-nitrophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]quinolin-2-one 4-hydroxy-1-methyl-3-[(4Z)-4-[(4…

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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) 2.08 3.21 -127.09 1 11 -2 164 404.342 4 ↓
Mid Mid (pH 6-8) 1.62 4.88 -51.72 2 11 -1 161 405.35 4 ↓

Analogs

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Popular Name: 3-[(4Z)-4-[(2-chlorophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4Z)-4-[(2-chlorophenyl)hydra…

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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) 2.75 3.4 -142.7 1 8 -2 118 393.79 3 ↓
Lo Low (pH 4.5-6) 2.30 4.94 -53.76 2 8 -1 115 394.798 3 ↓

Analogs

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Popular Name: 3-[(4Z)-4-[(3-chlorophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4Z)-4-[(3-chlorophenyl)hydra…

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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) 2.78 3.38 -136.42 1 8 -2 118 393.79 3 ↓
Lo Low (pH 4.5-6) 2.32 4.91 -50.01 2 8 -1 115 394.798 3 ↓

Analogs

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Popular Name: 3-[(4Z)-4-[(4-chlorophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4Z)-4-[(4-chlorophenyl)hydra…

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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) 2.80 3.38 -134.57 1 8 -2 118 393.79 3 ↓
Lo Low (pH 4.5-6) 2.34 4.91 -49.66 2 8 -1 115 394.798 3 ↓

Analogs

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Popular Name: 3-[(4Z)-4-[(2,5-dichlorophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4Z)-4-[(2,5-dichlorophenyl)h…

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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) 3.41 3.92 -138.17 1 8 -2 118 428.235 3 ↓
Lo Low (pH 4.5-6) 2.95 5.46 -51.56 2 8 -1 115 429.243 3 ↓

Analogs

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Popular Name: 3-[(4Z)-4-[(2-bromophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4Z)-4-[(2-bromophenyl)hydraz…

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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) 2.88 3.52 -141.94 1 8 -2 118 438.241 3 ↓
Lo Low (pH 4.5-6) 2.43 5.07 -53.64 2 8 -1 115 439.249 3 ↓

Analogs

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Popular Name: 3-[(4Z)-4-[(3-bromophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4Z)-4-[(3-bromophenyl)hydraz…

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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) 2.91 3.49 -136.44 1 8 -2 118 438.241 3 ↓
Lo Low (pH 4.5-6) 2.45 5.02 -49.9 2 8 -1 115 439.249 3 ↓

Analogs

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Popular Name: 3-[(4Z)-4-[(4-bromophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4Z)-4-[(4-bromophenyl)hydraz…

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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) 2.93 3.49 -134.25 1 8 -2 118 438.241 3 ↓
Lo Low (pH 4.5-6) 2.47 5.02 -49.48 2 8 -1 115 439.249 3 ↓

Analogs

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Popular Name: 4-hydroxy-3-[(4Z)-4-[(4-iodophenyl)hydrazono]-5-oxo-1H-pyrazol-3-yl]-1-methyl-quinolin-2-one 4-hydroxy-3-[(4Z)-4-[(4-iodophen…

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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) 3.21 3.96 -134.29 1 8 -2 118 485.241 3 ↓
Lo Low (pH 4.5-6) 2.75 5.5 -49.23 2 8 -1 115 486.249 3 ↓

Parameters Provided:

ring.id = 137151
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 = 137151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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