UCSF
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Analogs

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Popular Name: [(1Z,3E)-4-acetoxy-1,4-diphenyl-buta-1,3-dienyl] [(1Z,3E)-4-acetoxy-1,4-diphenyl-…

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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) 4.14 12.86 -13.86 0 4 0 53 322.36 7 ↓

Analogs

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Popular Name: N-[(Z,1Z)-3-(3,4-dihydroxyphenyl)-1-[(3,4-dihydroxyphenyl)methylene]-2-formamido-prop-2-enyl]formami N-[(Z,1Z)-3-(3,4-dihydroxyphenyl…

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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) 1.63 -1.46 -19.53 6 8 0 139 356.334 5 ↓

Analogs

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Popular Name: 1-[(1Z,3E)-2-isocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxy-benzene 1-[(1Z,3E)-2-isocyano-4-(4-metho…

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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) -1.96 10.64 -7.63 0 3 0 23 291.35 5 ↓

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) -2.16 11.13 -9.78 0 5 0 49 349.386 7 ↓

Analogs

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Popular Name: [(1Z,3Z)-2,3-diisocyano-4-phenyl-buta-1,3-dienyl]benzene [(1Z,3Z)-2,3-diisocyano-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) -5.19 13.28 -6.49 0 2 0 9 256.308 3 ↓

Analogs

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Popular Name: 1-[[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]methyl]guanidine 1-[[4-[(1E,3E)-4-phenylbuta-1,3-…

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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) 3.52 10.09 -36.76 5 3 1 66 278.379 5 ↓

Analogs

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Popular Name: 5-[(1E,3E)-4-(4-hydroxyphenyl)buta-1,3-dienyl]benzene-1,3-diol 5-[(1E,3E)-4-(4-hydroxyphenyl)bu…

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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) 3.50 2.22 -8.82 3 3 0 61 254.285 3 ↓

Analogs

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Popular Name: [(1E,3E)-1-methyl-4-phenyl-buta-1,3-dienyl]benzene [(1E,3E)-1-methyl-4-phenyl-buta-…

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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) 4.89 11.43 -3.57 0 0 0 0 220.315 3 ↓

Parameters Provided:

ring.id = 135897
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 = 135897 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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