UCSF
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Analogs

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Popular Name: 3-[(3S)-5-(benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8 3-[(3S)-5-(benzofuran-2-yl)-3-(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) 4.52 15.78 -24.59 0 8 0 90 506.562 5 ↓

Analogs

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Popular Name: 3-[(3R)-5-(benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8 3-[(3R)-5-(benzofuran-2-yl)-3-(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) 4.52 15.79 -24.82 0 8 0 90 506.562 5 ↓

Analogs

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Popular Name: 3-[(3S)-5-(benzofuran-2-yl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8- 3-[(3S)-5-(benzofuran-2-yl)-3-(2…

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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) 5.09 16.82 -22.17 0 7 0 81 510.981 4 ↓

Analogs

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Popular Name: 3-[(3R)-5-(benzofuran-2-yl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8- 3-[(3R)-5-(benzofuran-2-yl)-3-(2…

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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) 5.09 16.89 -22.95 0 7 0 81 510.981 4 ↓

Analogs

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Popular Name: 3-[(3S)-5-(benzofuran-2-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8- 3-[(3S)-5-(benzofuran-2-yl)-3-(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) 5.14 17 -22.7 0 7 0 81 510.981 4 ↓

Analogs

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Popular Name: 3-[(3R)-5-(benzofuran-2-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8- 3-[(3R)-5-(benzofuran-2-yl)-3-(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) 5.14 17.01 -22.91 0 7 0 81 510.981 4 ↓

Analogs

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Popular Name: 3-[(3S)-5-(benzofuran-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8 3-[(3S)-5-(benzofuran-2-yl)-3-(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) 3.98 13.64 -23.95 1 8 0 101 492.535 4 ↓

Analogs

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Popular Name: 3-[(3R)-5-(benzofuran-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8 3-[(3R)-5-(benzofuran-2-yl)-3-(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) 3.98 13.65 -25.5 1 8 0 101 492.535 4 ↓

Analogs

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Popular Name: 3-[(3S)-5-(benzofuran-2-yl)-3-(2-nitrophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-n 3-[(3S)-5-(benzofuran-2-yl)-3-(2…

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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) 4.37 16.83 -24.29 0 10 0 127 521.533 5 ↓

Analogs

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Popular Name: 3-[(3R)-5-(benzofuran-2-yl)-3-(2-nitrophenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-n 3-[(3R)-5-(benzofuran-2-yl)-3-(2…

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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) 4.37 16.87 -25.51 0 10 0 127 521.533 5 ↓

Parameters Provided:

ring.id = 364892
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 = 364892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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