UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11990369
11990369
4424275
4424275

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Popular Name: (5R,10bS)-2-(2-furyl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-2-(2-furyl)-5-(4-nitro…

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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 1.38 -9.04 0 7 0 84 361.357 3 ↓

Analogs

4424275
4424275

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Popular Name: (5R,10bR)-2-(2-furyl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bR)-2-(2-furyl)-5-(4-nitro…

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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 0.93 -10.58 0 7 0 84 361.357 3 ↓

Analogs

11995068
11995068
25781671
25781671
25781674
25781674
4284097
4284097
4284098
4284098

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Popular Name: (5R,10bS)-5-(2,4-dichlorophenyl)-2-(2-furyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-5-(2,4-dichlorophenyl)…

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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) 5.54 1.4 -6.55 0 4 0 38 385.25 2 ↓

Analogs

4284097
4284097
4284098
4284098

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Popular Name: (5R,10bR)-5-(2,4-dichlorophenyl)-2-(2-furyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bR)-5-(2,4-dichlorophenyl)…

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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) 5.54 0.09 -7.13 0 4 0 38 385.25 2 ↓

Analogs

36636099
36636099
9354476
9354476
9354477
9354477

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Popular Name: (5R,10bS)-9-bromo-2-(5-ethyl-2-furyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxa (5R,10bS)-9-bromo-2-(5-ethyl-2-f…

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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) 5.77 12.12 -10.43 0 7 0 84 468.307 4 ↓

Analogs

36636098
36636098
9354476
9354476

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Popular Name: (5R,10bR)-9-bromo-2-(5-ethyl-2-furyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxa (5R,10bR)-9-bromo-2-(5-ethyl-2-f…

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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) 5.77 11.91 -8.27 0 7 0 84 468.307 4 ↓

Analogs

36636101
36636101
9463691
9463691
9463694
9463694

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Popular Name: (5R,10bS)-9-bromo-5-(3,4-difluorophenyl)-2-(5-ethyl-2-furyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]be (5R,10bS)-9-bromo-5-(3,4-difluor…

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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) 6.09 11.54 -7.1 0 4 0 38 459.29 3 ↓

Analogs

36636100
36636100
9463691
9463691

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Popular Name: (5R,10bR)-9-bromo-5-(3,4-difluorophenyl)-2-(5-ethyl-2-furyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]be (5R,10bR)-9-bromo-5-(3,4-difluor…

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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) 6.09 11.32 -6.56 0 4 0 38 459.29 3 ↓

Analogs

36636103
36636103
8717641
8717641
8717642
8717642

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Popular Name: (5R,10bS)-9-bromo-2-(5-ethyl-2-furyl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxa (5R,10bS)-9-bromo-2-(5-ethyl-2-f…

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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) 5.80 12.12 -8.18 0 7 0 84 468.307 4 ↓

Analogs

36636102
36636102
8717641
8717641

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Popular Name: (5R,10bR)-9-bromo-2-(5-ethyl-2-furyl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxa (5R,10bR)-9-bromo-2-(5-ethyl-2-f…

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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) 5.80 11.91 -9.24 0 7 0 84 468.307 4 ↓

Analogs

25781797
25781797
25781811
25781811
5739402
5739402
5739517
5739517

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Popular Name: (5S,10bR)-5-(3,4-dimethoxyphenyl)-2-(2-furyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (5S,10bR)-5-(3,4-dimethoxyphenyl…

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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) 3.91 8.4 -10.24 0 6 0 56 376.412 4 ↓

Analogs

25781797
25781797
25781811
25781811
5739402
5739402
5739517
5739517

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,10bR)-5-(3,4-dimethoxyphenyl)-2-(2-furyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bR)-5-(3,4-dimethoxyphenyl…

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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) 3.91 8.21 -11.57 0 6 0 56 376.412 4 ↓

Analogs

4170579
4170579
11024078
11024078
11024079
11024079

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Popular Name: 2-furyl-(4-isopropylphenyl)-BLAH 2-furyl-(4-isopropylphenyl)-BLAH

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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) 5.77 1.66 -7.19 0 4 0 37 358.441 3 ↓

Analogs

11024078
11024078
11024079
11024079
4170577
4170577

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Popular Name: 2-furyl-(4-isopropylphenyl)-BLAH 2-furyl-(4-isopropylphenyl)-BLAH

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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) 5.77 1.21 -8.66 0 4 0 37 358.441 3 ↓

Parameters Provided:

ring.id = 65960
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 = 65960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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