UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9047357
9047357
9047360
9047360
9047121
9047121
9047123
9047123
13655278
13655278

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Popular Name: 3-(2-methoxyphenyl)-2-methyl-9-[[(2S)-tetrahydrofuran-2-yl]methyl]-8,10-dihydropyrano[2,3-f][1,3]ben 3-(2-methoxyphenyl)-2-methyl-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) 3.76 6.9 -14.74 0 6 0 61 407.466 4 ↓
Lo Low (pH 4.5-6) 3.76 9.76 -50.56 1 6 1 62 408.474 4 ↓

Analogs

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Popular Name: 3-(2-methoxyphenyl)-2-methyl-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-8,10-dihydropyrano[2,3-f][1,3]ben 3-(2-methoxyphenyl)-2-methyl-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) 3.76 6.84 -14.67 0 6 0 61 407.466 4 ↓
Lo Low (pH 4.5-6) 3.76 9.75 -50.67 1 6 1 62 408.474 4 ↓

Analogs

12442621
12442621
12442619
12442619

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Popular Name: 3-(2-methoxyphenyl)-9-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3 3-(2-methoxyphenyl)-9-[[(2S)-tet…

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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) 4.67 7.1 -11.71 0 6 0 61 461.436 5 ↓
Lo Low (pH 4.5-6) 4.67 9.95 -47.2 1 6 1 62 462.444 5 ↓

Analogs

12442621
12442621
12442619
12442619

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3 3-(2-methoxyphenyl)-9-[[(2R)-tet…

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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) 4.67 7.03 -11.57 0 6 0 61 461.436 5 ↓
Lo Low (pH 4.5-6) 4.67 9.94 -46.8 1 6 1 62 462.444 5 ↓

Analogs

12442619
12442619
12442621
12442621

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Popular Name: 3-(4-chlorophenyl)-9-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3- 3-(4-chlorophenyl)-9-[[(2S)-tetr…

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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) 5.34 8.25 -8.21 0 5 0 52 465.855 4 ↓
Lo Low (pH 4.5-6) 5.34 11.13 -46.14 1 5 1 53 466.863 4 ↓

Analogs

12442619
12442619
12442621
12442621

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3- 3-(4-chlorophenyl)-9-[[(2R)-tetr…

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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) 5.34 8.22 -8.18 0 5 0 52 465.855 4 ↓
Lo Low (pH 4.5-6) 5.34 11.13 -45.88 1 5 1 53 466.863 4 ↓

Analogs

12442619
12442619
12442621
12442621

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-9-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3 3-(4-methoxyphenyl)-9-[[(2S)-tet…

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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) 4.72 7.03 -9.91 0 6 0 61 461.436 5 ↓
Lo Low (pH 4.5-6) 4.72 9.91 -47.03 1 6 1 62 462.444 5 ↓

Analogs

12442619
12442619
12442621
12442621

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3 3-(4-methoxyphenyl)-9-[[(2R)-tet…

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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) 4.72 7 -9.83 0 6 0 61 461.436 5 ↓
Lo Low (pH 4.5-6) 4.72 9.91 -46.84 1 6 1 62 462.444 5 ↓

Analogs

12442619
12442619
12442621
12442621

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Popular Name: 3-(3,4-dimethoxyphenyl)-9-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-(trifluoromethyl)-8,10-dihydropyrano 3-(3,4-dimethoxyphenyl)-9-[[(2S)…

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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) 4.31 6.94 -12.05 0 7 0 70 491.462 6 ↓
Lo Low (pH 4.5-6) 4.31 9.82 -50.04 1 7 1 72 492.47 6 ↓

Analogs

12442619
12442619
12442621
12442621

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-(trifluoromethyl)-8,10-dihydropyrano 3-(3,4-dimethoxyphenyl)-9-[[(2R)…

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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) 4.31 6.91 -11.97 0 7 0 70 491.462 6 ↓
Lo Low (pH 4.5-6) 4.31 9.82 -49.76 1 7 1 72 492.47 6 ↓

Analogs

9051327
9051327
9051323
9051323
9576589
9576589
9576591
9576591

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Popular Name: 3-(4-bromophenyl)-9-[[(2S)-tetrahydrofuran-2-yl]methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-o 3-(4-bromophenyl)-9-[[(2S)-tetra…

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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) 4.34 7.54 -12.12 0 5 0 52 442.309 3 ↓
Lo Low (pH 4.5-6) 4.34 10.4 -50.97 1 5 1 53 443.317 3 ↓

Analogs

9051327
9051327
9051323
9051323
9576589
9576589
9576591
9576591

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-9-[[(2R)-tetrahydrofuran-2-yl]methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-o 3-(4-bromophenyl)-9-[[(2R)-tetra…

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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) 4.34 7.47 -12.12 0 5 0 52 442.309 3 ↓
Lo Low (pH 4.5-6) 4.34 10.38 -51.29 1 5 1 53 443.317 3 ↓

Parameters Provided:

ring.id = 565669
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 = 565669 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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