UCSF
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Analogs

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Popular Name: 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one 1-(1-benzylbenzimidazol-2-yl)-3,…

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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) 4.94 16.06 -10.47 0 5 0 53 384.483 3 ↓

Analogs

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Popular Name: 5-bromo-3-methyl-1,6-diphenyl-6,7-dihydro-5H-indazol-4-one 5-bromo-3-methyl-1,6-diphenyl-6,…

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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) 4.40 1.62 -8.76 0 3 0 34 381.273 2 ↓

Analogs

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Popular Name: 5-bromo-3-methyl-1,6-diphenyl-6,7-dihydro-5H-indazol-4-one 5-bromo-3-methyl-1,6-diphenyl-6,…

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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) 4.40 1.61 -10.15 0 3 0 34 381.273 2 ↓

Analogs

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Popular Name: 5-bromo-3-methyl-1,6-diphenyl-6,7-dihydro-5H-indazol-4-one 5-bromo-3-methyl-1,6-diphenyl-6,…

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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) 4.40 1.6 -10.03 0 3 0 34 381.273 2 ↓

Analogs

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Popular Name: 5-bromo-3-methyl-1,6-diphenyl-6,7-dihydro-5H-indazol-4-one 5-bromo-3-methyl-1,6-diphenyl-6,…

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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) 4.40 1.61 -8.81 0 3 0 34 381.273 2 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-3-(3-methoxyphenyl)amino-6,7-dihydro-5H-indazol-4-one 1-(4-methoxyphenyl)-3-(3-methoxy…

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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) 4.14 1.31 -15.76 1 6 0 65 363.417 5 ↓

Analogs

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Popular Name: 6,6-Dimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one 6,6-Dimethyl-3-(trifluoromethyl)…

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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) 2.61 4.36 -12.6 1 3 0 46 232.205 1 ↓
Ref Reference (pH 7) 2.61 4.4 -7.24 1 3 0 46 232.205 1 ↓
Hi High (pH 8-9.5) 2.61 4.24 -36.94 0 3 -1 44 231.197 1 ↓

Analogs

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Popular Name: 3-anilino-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one 3-anilino-6,6-dimethyl-1-phenyl-…

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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) 4.94 2.04 -12.91 1 4 0 46 331.419 3 ↓

Analogs

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Popular Name: 3-(2-methoxyphenyl)amino-1-phenyl-6,7-dihydro-5H-indazol-4-one 3-(2-methoxyphenyl)amino-1-pheny…

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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) 4.06 1.46 -15.37 1 5 0 56 333.391 4 ↓

Analogs

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Popular Name: 1-(5-chloro-2-methyl-phenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one 1-(5-chloro-2-methyl-phenyl)-3-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) 3.63 9.05 -9.51 0 3 0 35 274.751 1 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one 1-(4-ethoxyphenyl)-3,6,6-trimeth…

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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 8.83 -11.48 0 4 0 44 298.386 3 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-isopropyl-6,7-dihydro-5H-indazol-4-one 1-(3-chlorophenyl)-3-isopropyl-6…

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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) 4.08 9.51 -12.56 0 3 0 35 288.778 2 ↓

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-3-isopropyl-6,7-dihydro-5H-indazol-4-one 1-(2,3-dimethylphenyl)-3-isoprop…

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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) 4.22 10.49 -10.87 0 3 0 35 282.387 2 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-6,7-dihydro-5H-indazol-4-one 1-(4-bromophenyl)-6,7-dihydro-5H…

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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) 2.74 7.72 -10.64 0 3 0 35 291.148 1 ↓

Analogs

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Popular Name: 1-(4-tert-butylphenyl)-6,7-dihydro-5H-indazol-4-one 1-(4-tert-butylphenyl)-6,7-dihyd…

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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) 3.64 9.41 -10.95 0 3 0 35 268.36 2 ↓

Analogs

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Popular Name: 1-(3,5-DIMETHYLPHENYL)-1,5,6,7-TETRAHYDROINDAZOL-4-ONE 1-(3,5-DIMETHYLPHENYL)-1,5,6,7-T…

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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) 3.18 8.42 -11.49 0 3 0 35 240.306 1 ↓

Analogs

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Popular Name: 1-(4-nitrophenyl)-6,7-dihydro-5H-indazol-4-one 1-(4-nitrophenyl)-6,7-dihydro-5H…

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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 7.81 -13.36 0 6 0 81 257.249 2 ↓

Analogs

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Popular Name: 1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-indazol-4-one 1-[3-(trifluoromethyl)phenyl]-6,…

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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) 3.02 8.11 -14.12 0 3 0 35 280.249 2 ↓

Analogs

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Popular Name: 1-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-indazol-4-one 1-[4-(trifluoromethyl)phenyl]-6,…

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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) 2.83 8.09 -11.24 0 3 0 35 280.249 2 ↓

Parameters Provided:

ring.id = 1166
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 = 1166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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