UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8456837
8456837
8456839
8456839

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Popular Name: (6R)-6-(2,4-dichlorophenyl)-9,9-dimethyl-5-(3-methylbutanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzo (6R)-6-(2,4-dichlorophenyl)-9,9-…

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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) 6.18 13.97 -17.24 1 4 0 49 471.428 3 ↓

Analogs

8456837
8456837
8456839
8456839

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Popular Name: (6S)-6-(2,4-dichlorophenyl)-9,9-dimethyl-5-(3-methylbutanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzo (6S)-6-(2,4-dichlorophenyl)-9,9-…

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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) 6.18 14.03 -16.95 1 4 0 49 471.428 3 ↓

Analogs

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Popular Name: 11-(3,5-dibromo-4-hydroxyphenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 11-(3,5-dibromo-4-hydroxyphenyl)…

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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) 6.02 8.11 -8.11 3 4 0 61 506.238 1 ↓

Analogs

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Popular Name: 11-(3,5-dibromo-4-hydroxyphenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 11-(3,5-dibromo-4-hydroxyphenyl)…

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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) 6.02 8.09 -8.39 3 4 0 61 506.238 1 ↓

Analogs

4168024
4168024

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Popular Name: tetramethyl-(4-propoxyphenyl)-BLAHone tetramethyl-(4-propoxyphenyl)-BL…

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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) 6.08 0.19 -8.92 2 4 0 50 404.554 4 ↓

Analogs

4168019
4168019

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Popular Name: tetramethyl-(4-propoxyphenyl)-BLAHone tetramethyl-(4-propoxyphenyl)-BL…

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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) 6.08 0.18 -8.62 2 4 0 50 404.554 4 ↓

Analogs

4168030
4168030
4151107
4151107

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Popular Name: (4-diethylaminophenyl)-tetramethyl-BLAHone (4-diethylaminophenyl)-tetrameth…

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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) 6.00 12.56 -23.22 3 4 0 46 418.605 4 ↓

Analogs

4151107
4151107

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Popular Name: (4-diethylaminophenyl)-tetramethyl-BLAHone (4-diethylaminophenyl)-tetrameth…

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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) 6.00 12.57 -23.34 3 4 0 46 418.605 4 ↓

Analogs

4550156
4550156
3904701
3904701
3904703
3904703
3904705
3904705

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Popular Name: pentanoyl-(p-tolyl)BLAHone pentanoyl-(p-tolyl)BLAHone

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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) 4.98 1.56 -18.96 1 4 0 49 388.511 4 ↓

Analogs

4550155
4550155

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Popular Name: pentanoyl-(p-tolyl)BLAHone pentanoyl-(p-tolyl)BLAHone

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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) 4.98 1.55 -18.9 1 4 0 49 388.511 4 ↓

Analogs

4550881
4550881

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Popular Name: 11-(3,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 11-(3,4-dichlorophenyl)-2,3,4,5,…

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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) 4.97 -1.62 -8.26 2 3 0 41 359.256 1 ↓

Analogs

4550880
4550880

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Popular Name: 11-(3,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 11-(3,4-dichlorophenyl)-2,3,4,5,…

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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) 4.97 -1.63 -7.55 2 3 0 41 359.256 1 ↓

Analogs

16577941
16577941

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Popular Name: 4-[(6R)-6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[c][1,5]benzodiazepin-5-yl]-4 4-[(6R)-6-(4-fluorophenyl)-9,9-d…

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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) 3.19 11.29 -58.26 1 6 -1 90 435.475 4 ↓

Analogs

16577938
16577938

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Popular Name: 4-[(6S)-6-(4-fluorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[c][1,5]benzodiazepin-5-yl]-4 4-[(6S)-6-(4-fluorophenyl)-9,9-d…

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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) 3.19 11.28 -57.88 1 6 -1 90 435.475 4 ↓

Analogs

16577983
16577983

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Popular Name: (6S)-6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1,5]benzod (6S)-6-(3-bromo-4-hydroxy-5-meth…

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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) 4.65 6.74 -9.69 3 5 0 71 443.341 2 ↓

Analogs

16577980
16577980

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Popular Name: (6R)-6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1,5]benzod (6R)-6-(3-bromo-4-hydroxy-5-meth…

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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) 4.65 6.72 -10.53 3 5 0 71 443.341 2 ↓

Analogs

21218465
21218465
21218469
21218469
21218473
21218473
21218476
21218476
21238125
21238125

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Popular Name: (6S)-6-(4-methoxy-3-nitro-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1,5]benzodiazepin-7- (6S)-6-(4-methoxy-3-nitro-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) 4.29 9.73 -15.53 2 7 0 96 393.443 3 ↓

Analogs

21218465
21218465
21218469
21218469
21218473
21218473
21218476
21218476
21238125
21238125

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Popular Name: (6R)-6-(4-methoxy-3-nitro-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1,5]benzodiazepin-7- (6R)-6-(4-methoxy-3-nitro-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) 4.29 9.74 -15.38 2 7 0 96 393.443 3 ↓

Parameters Provided:

ring.id = 111511
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 = 111511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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