UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9007684
9007684
9007685
9007685

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Popular Name: (5R,10bS)-5-(4-allyloxyphenyl)-9-bromo-2-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-5-(4-allyloxyphenyl)-9…

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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) 6.31 11.27 -6.14 1 4 0 34 461.359 5 ↓

Analogs

9007686
9007686
9007687
9007687

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Popular Name: (5R,10bR)-9-bromo-2-(4-chlorophenyl)-5-p-cumenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bR)-9-bromo-2-(4-chlorophe…

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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) 7.80 13.62 -4.79 1 3 0 24 481.821 3 ↓

Analogs

9007615
9007615
9007616
9007616

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Popular Name: (5S,10bR)-9-chloro-2-(4-methoxyphenyl)-5-p-phenetyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5S,10bR)-9-chloro-2-(4-methoxyp…

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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) 5.97 9.9 -7.49 1 5 0 43 434.923 5 ↓

Analogs

9007708
9007708
9007709
9007709

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Popular Name: (5R,10bS)-9-bromo-2-phenyl-5-(4-propoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-9-bromo-2-phenyl-5-(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) 6.55 11.49 -5.9 1 4 0 34 463.375 5 ↓

Analogs

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

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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) 6.49 -1.04 -7.07 1 4 0 33 416.496 6 ↓

Analogs

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

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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) 6.83 -1.69 -6.88 1 4 0 33 412.533 7 ↓

Analogs

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Popular Name: (5R,10bS)-5-(2-chlorophenyl)-9-methoxy-2-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-5-(2-chlorophenyl)-9-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) 5.49 -2.14 -7.42 1 4 0 33 390.87 3 ↓

Analogs

12275916
12275916
12275919
12275919

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Popular Name: (5R,10bS)-5-(2,4-dichlorophenyl)-2-phenyl-5,10b-dihydro-3H-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) 6.11 -2.35 -5.56 1 3 0 24 395.289 2 ↓

Analogs

9007785
9007785

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Popular Name: (5S,10bR)-2-(4-allyloxyphenyl)-9-bromo-5-(2-chlorophenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzo (5S,10bR)-2-(4-allyloxyphenyl)-9…

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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) 6.94 11.28 -6.25 1 4 0 34 495.804 5 ↓

Analogs

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Popular Name: (5R,10bS)-5-(4-butoxyphenyl)-9-chloro-2-(p-tolyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-5-(4-butoxyphenyl)-9-c…

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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) 7.42 12.84 -5.9 1 4 0 34 446.978 6 ↓

Analogs

9007615
9007615
9007616
9007616

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Popular Name: (5S,10bR)-9-chloro-2,5-bis(4-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5S,10bR)-9-chloro-2,5-bis(4-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) 5.60 8.96 -8.6 1 5 0 43 420.896 4 ↓

Analogs

12273722
12273722

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

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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) 6.07 -1.41 -7.44 1 4 0 33 398.506 4 ↓

Analogs

12273723
12273723

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

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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) 6.97 -0.86 -7.2 1 4 0 33 426.56 5 ↓

Analogs

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

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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) 8.29 14.78 -6.77 1 4 0 34 454.614 10 ↓

Analogs

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Popular Name: (5R,10bS)-7,9-dibromo-5-(4-butoxyphenyl)-2-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-7,9-dibromo-5-(4-butox…

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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) 7.84 12.94 -5.93 1 4 0 34 556.298 6 ↓

Analogs

9008621
9008621
9008622
9008622

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Popular Name: (5S,10bR)-9-bromo-5-(2,4-dichlorophenyl)-2-(p-tolyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazin (5S,10bR)-9-bromo-5-(2,4-dichlor…

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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) 7.34 11.64 -4.25 1 3 0 24 488.212 2 ↓

Analogs

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Popular Name: (5R,10bS)-9-chloro-2-p-phenetyl-5-(p-tolyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-9-chloro-2-p-phenetyl-…

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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) 6.36 -1.85 -6.42 1 4 0 33 418.924 4 ↓

Analogs

6925008
6925008
9008126
9008126
9008127
9008127

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Popular Name: (5R,10bS)-9-chloro-5-(4-chlorophenyl)-2-p-phenetyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-9-chloro-5-(4-chloroph…

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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) 6.59 11.07 -6.2 1 4 0 34 439.342 4 ↓

Analogs

9008135
9008135
9008136
9008136
9008222
9008222

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Popular Name: (5S,10bS)-9-chloro-5-(4-hexoxyphenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzo (5S,10bS)-9-chloro-5-(4-hexoxyph…

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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) 8.04 13.74 -6.78 1 5 0 43 491.031 9 ↓

Analogs

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Popular Name: (5R,10bS)-9-chloro-5-(4-hexoxyphenyl)-2-p-phenetyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (5R,10bS)-9-chloro-5-(4-hexoxyph…

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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) 8.35 13.97 -7.13 1 5 0 43 505.058 10 ↓

Parameters Provided:

ring.id = 229097
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 = 229097 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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