UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442657
12442657
12442655
12442655

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Popular Name: (2Z)-4-methyl-2-[(4-phenylphenyl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-4-methyl-2-[(4-phenylphenyl…

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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) 5.39 11.12 -11.44 0 5 0 52 453.538 4 ↓
Lo Low (pH 4.5-6) 5.39 13.93 -47.5 1 5 1 53 454.546 4 ↓

Analogs

12442657
12442657
12442655
12442655

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(4-phenylphenyl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2, (2Z)-4-methyl-2-[(4-phenylphenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.39 11.03 -11.28 0 5 0 52 453.538 4 ↓
Lo Low (pH 4.5-6) 5.39 13.94 -47.34 1 5 1 53 454.546 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-phenylphenyl)methylene]-8-[[(2S)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][1,3] (2Z)-2-[(4-phenylphenyl)methylen…

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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) 5.02 10.47 -11.35 0 5 0 52 439.511 4 ↓
Lo Low (pH 4.5-6) 5.02 13.27 -47.76 1 5 1 53 440.519 4 ↓

Analogs

8992364
8992364
8992365
8992365

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-phenylphenyl)methylene]-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-7,9-dihydrofuro[2,3-f][1,3] (2Z)-2-[(4-phenylphenyl)methylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.02 10.37 -11.27 0 5 0 52 439.511 4 ↓
Lo Low (pH 4.5-6) 5.02 13.28 -47.74 1 5 1 53 440.519 4 ↓

Parameters Provided:

ring.id = 561531
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 = 561531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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