UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35633364
35633364
35633366
35633366
35633368
35633368
32624080
32624080
32624078
32624078

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Popular Name: (4R,5R,6R)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-5-(4-propoxybenzoyl)-4-(trifluoromethyl)hexahydr (4R,5R,6R)-6-[5-(3-fluorophenyl)…

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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) 5.30 5.89 -18.03 3 7 0 101 506.452 8 ↓

Analogs

35633366
35633366
35633368
35633368
32624080
32624080
32624078
32624078
32624076
32624076

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Popular Name: (4R,5S,6R)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-5-(4-propoxybenzoyl)-4-(trifluoromethyl)hexahydr (4R,5S,6R)-6-[5-(3-fluorophenyl)…

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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) 5.30 6.34 -14.4 3 7 0 101 506.452 8 ↓

Analogs

35633368
35633368
32624080
32624080
32624078
32624078
32624076
32624076
32624074
32624074

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Popular Name: (4R,5R,6S)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-5-(4-propoxybenzoyl)-4-(trifluoromethyl)hexahydr (4R,5R,6S)-6-[5-(3-fluorophenyl)…

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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) 5.30 7.82 -18.11 3 7 0 101 506.452 8 ↓

Analogs

32624080
32624080
32624078
32624078
32624076
32624076
32624074
32624074
35633366
35633366

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S,6S)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-5-(4-propoxybenzoyl)-4-(trifluoromethyl)hexahydr (4R,5S,6S)-6-[5-(3-fluorophenyl)…

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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) 5.30 5.93 -18.16 3 7 0 101 506.452 8 ↓

Analogs

35633372
35633372
32624086
32624086
32624084
32624084
32624083
32624083
32624081
32624081

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Popular Name: (4S,5R,6S)-5-(4-fluorobenzoyl)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-4-(trifluoromethyl)hexahydro (4S,5R,6S)-5-(4-fluorobenzoyl)-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) 4.53 5.76 -14.88 3 6 0 92 466.362 5 ↓

Analogs

32624086
32624086
32624084
32624084
32624083
32624083
32624081
32624081

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R,6R)-5-(4-fluorobenzoyl)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-4-(trifluoromethyl)hexahydro (4S,5R,6R)-5-(4-fluorobenzoyl)-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) 4.53 5.18 -14.52 3 6 0 92 466.362 5 ↓

Analogs

35633377
35633377
35633379
35633379
35633381
35633381
32624161
32624161
32624160
32624160

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Popular Name: (4R,5R,6R)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)hexahydro (4R,5R,6R)-6-[5-(3-fluorophenyl)…

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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) 4.81 5.52 -19.23 3 6 0 92 462.399 5 ↓

Analogs

35633379
35633379
35633381
35633381
32624161
32624161
32624160
32624160
32624158
32624158

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S,6R)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)hexahydro (4R,5S,6R)-6-[5-(3-fluorophenyl)…

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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) 4.81 5.99 -14.12 3 6 0 92 462.399 5 ↓

Analogs

35633381
35633381
32624161
32624161
32624160
32624160
32624158
32624158
32624157
32624157

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R,6S)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)hexahydro (4R,5R,6S)-6-[5-(3-fluorophenyl)…

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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) 4.81 7.46 -18.15 3 6 0 92 462.399 5 ↓

Analogs

32624161
32624161
32624160
32624160
32624158
32624158
32624157
32624157
35633379
35633379

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S,6S)-6-[5-(3-fluorophenyl)-2-furyl]-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)hexahydro (4R,5S,6S)-6-[5-(3-fluorophenyl)…

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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) 4.81 5.57 -19.35 3 6 0 92 462.399 5 ↓

Analogs

1251840
1251840
955983
955983
8735681
8735681

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S,6S)-5-benzoyl-6-[5-(3,4-dichlorophenyl)-2-furyl]-4-hydroxy-4-(trifluoromethyl)hexahydropyrimi (4S,5S,6S)-5-benzoyl-6-[5-(3,4-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) 5.51 -3.1 -14.37 3 6 0 92 499.272 5 ↓

Parameters Provided:

ring.id = 19992
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 = 19992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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