UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7992201
7992201

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Popular Name: (1S,4S,5S)-4-(4-methoxyphenyl)-6-[(Z)-2-(4-methoxyphenyl)vinyl]-1,5-dimethyl-bicyclo[3.2.1]oct-6-en- (1S,4S,5S)-4-(4-methoxyphenyl)-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) 5.96 11.67 -8.19 0 3 0 36 388.507 5 ↓

Analogs

7992201
7992201

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Popular Name: (1R,4S,5R)-4-(4-methoxyphenyl)-6-[(Z)-2-(4-methoxyphenyl)vinyl]-1,5-dimethyl-bicyclo[3.2.1]oct-6-en- (1R,4S,5R)-4-(4-methoxyphenyl)-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) 5.96 11.71 -9.46 0 3 0 36 388.507 5 ↓

Analogs

8019677
8019677

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Popular Name: (1S,4S,5S)-1,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-6-[(Z)-2-[4-(trifluoromethyl)phenyl]vinyl]bicy (1S,4S,5S)-1,5-dimethyl-4-[4-(tr…

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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) 7.64 15.07 -8.22 0 1 0 17 464.449 5 ↓

Analogs

8019677
8019677

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Popular Name: (1R,4S,5R)-1,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-6-[(Z)-2-[4-(trifluoromethyl)phenyl]vinyl]bicy (1R,4S,5R)-1,5-dimethyl-4-[4-(tr…

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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) 7.64 15.07 -10.36 0 1 0 17 464.449 5 ↓

Analogs

7992203
7992203

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Popular Name: (1S,4R,5S)-4-(2-methoxyphenyl)-6-[(Z)-2-(2-methoxyphenyl)vinyl]-1,5-dimethyl-bicyclo[3.2.1]oct-6-en- (1S,4R,5S)-4-(2-methoxyphenyl)-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) 5.22 11.82 -7.49 0 3 0 36 388.507 5 ↓

Analogs

7992203
7992203

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Popular Name: (1R,4R,5R)-4-(2-methoxyphenyl)-6-[(Z)-2-(2-methoxyphenyl)vinyl]-1,5-dimethyl-bicyclo[3.2.1]oct-6-en- (1R,4R,5R)-4-(2-methoxyphenyl)-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) 5.22 13.18 -7.03 0 3 0 36 388.507 5 ↓

Analogs

7992340
7992340

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Popular Name: (1S,4S,5S)-4-(4-fluorophenyl)-6-[(Z)-2-(4-fluorophenyl)vinyl]-1,5-dimethyl-bicyclo[3.2.1]oct-6-en-2- (1S,4S,5S)-4-(4-fluorophenyl)-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) 6.18 13.2 -7.51 0 1 0 17 364.435 3 ↓

Analogs

7992340
7992340

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Popular Name: (1R,4S,5R)-4-(4-fluorophenyl)-6-[(Z)-2-(4-fluorophenyl)vinyl]-1,5-dimethyl-bicyclo[3.2.1]oct-6-en-2- (1R,4S,5R)-4-(4-fluorophenyl)-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) 6.18 13.24 -9.72 0 1 0 17 364.435 3 ↓

Analogs

8019791
8019791

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Popular Name: (1S,4S,5S)-4-(4-bromophenyl)-6-[(Z)-2-(4-bromophenyl)vinyl]-1,5-dimethyl-bicyclo[3.2.1]oct-6-en-2-on (1S,4S,5S)-4-(4-bromophenyl)-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) 7.47 14.32 -6.21 0 1 0 17 486.247 3 ↓

Analogs

8019791
8019791

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Popular Name: (1R,4S,5R)-4-(4-bromophenyl)-6-[(Z)-2-(4-bromophenyl)vinyl]-1,5-dimethyl-bicyclo[3.2.1]oct-6-en-2-on (1R,4S,5R)-4-(4-bromophenyl)-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) 7.47 14.36 -8.11 0 1 0 17 486.247 3 ↓

Analogs

7992391
7992391
7992392
7992392

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Popular Name: (1R,4S,5R)-1,5-dimethyl-4-(p-tolyl)-6-[(Z)-2-(p-tolyl)vinyl]bicyclo[3.2.1]oct-6-en-2-one (1R,4S,5R)-1,5-dimethyl-4-(p-tol…

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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) 6.75 14.49 -6.72 0 1 0 17 356.509 3 ↓

Analogs

7992391
7992391
7992392
7992392

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Popular Name: (1S,4S,5S)-1,5-dimethyl-4-(p-tolyl)-6-[(Z)-2-(p-tolyl)vinyl]bicyclo[3.2.1]oct-6-en-2-one (1S,4S,5S)-1,5-dimethyl-4-(p-tol…

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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) 6.75 14.36 -5.36 0 1 0 17 356.509 3 ↓

Analogs

7992325
7992325

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Popular Name: (1S,4S,5S)-1,5-dimethyl-4-phenyl-6-[(Z)-styryl]bicyclo[3.2.1]oct-6-en-2-one (1S,4S,5S)-1,5-dimethyl-4-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) 5.85 13.07 -5.33 0 1 0 17 328.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4S,5R)-1,5-dimethyl-4-phenyl-6-[(Z)-styryl]bicyclo[3.2.1]oct-6-en-2-one (1R,4S,5R)-1,5-dimethyl-4-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) 5.85 13.11 -6.68 0 1 0 17 328.455 3 ↓

Analogs

7992347
7992347
7992348
7992348

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Popular Name: (1R,4S,5R)-4-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-6-[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-1,5-dime (1R,4S,5R)-4-[(1Z)-2,6-dimethylh…

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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) 8.86 19 -4.36 0 1 0 17 420.681 9 ↓

Analogs

7992347
7992347
7992348
7992348

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Popular Name: (1S,4S,5S)-4-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-6-[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-1,5-dime (1S,4S,5S)-4-[(1Z)-2,6-dimethylh…

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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) 8.86 19 -4.18 0 1 0 17 420.681 9 ↓

Parameters Provided:

ring.id = 471365
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 = 471365 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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