UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39951576
39951576

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Popular Name: 2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]malononitrile 2-[2-(3,4-dimethoxyphenyl)-6-met…

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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) 4.16 5.39 -11.3 0 5 0 79 344.37 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.66 2.44 -13.75 1 5 0 83 319.316 3 ↓

Analogs

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Popular Name: (4E)-4-benzylidene-2-methyl-chromen-7-ol (4E)-4-benzylidene-2-methyl-chro…

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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) 3.84 7.37 -7.14 1 2 0 33 250.297 1 ↓

Analogs

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Popular Name: (4E)-4-benzylidene-7-isopropenyloxy-2-methyl-chromene (4E)-4-benzylidene-7-isopropenyl…

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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) 5.69 11.3 -6.52 0 2 0 22 290.362 3 ↓

Analogs

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Popular Name: (4E)-4-benzylidene-7-methoxy-2-methyl-chromene (4E)-4-benzylidene-7-methoxy-2-m…

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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) 4.37 9.52 -7.05 0 2 0 22 264.324 2 ↓

Analogs

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Popular Name: [(4E)-8-acetoxy-4-benzylidene-2-phenyl-chromen-7-yl] [(4E)-8-acetoxy-4-benzylidene-2-…

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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) 4.85 16.06 -19.45 0 5 0 66 412.441 6 ↓

Analogs

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Popular Name: (4E)-4-benzylidene-7,8-dimethoxy-2-phenyl-chromene (4E)-4-benzylidene-7,8-dimethoxy…

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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) 5.86 12.89 -10.73 0 3 0 32 356.421 4 ↓

Analogs

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Popular Name: (4E)-4-benzylidene-2-phenyl-chromene-5,7-diol (4E)-4-benzylidene-2-phenyl-chro…

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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) 5.24 7.73 -9.47 2 3 0 54 328.367 2 ↓

Analogs

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Popular Name: [(4E)-5-acetoxy-4-benzylidene-2-phenyl-chromen-7-yl] [(4E)-5-acetoxy-4-benzylidene-2-…

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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) 5.05 15.47 -17.33 0 5 0 66 412.441 6 ↓

Analogs

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Popular Name: (2E)-N-(3-nitrophenyl)-1-phenyl-2-(2-phenylchromen-4-ylidene)ethanimine (2E)-N-(3-nitrophenyl)-1-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) 7.61 16.78 -13.21 0 5 0 71 444.49 5 ↓

Parameters Provided:

ring.id = 222784
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 = 222784 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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