UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: LS-136115 LS-136115

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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) 4.66 6.9 -12.76 1 5 0 60 358.511 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.00 5.43 -19.79 1 7 0 86 362.455 6 ↓

Analogs

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Popular Name: (1-methyl-7,8-dihydro-6H-chromeno[3,2-d]pyridin-4-yl)methanol (1-methyl-7,8-dihydro-6H-chromen…

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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) 1.92 4.13 -8.93 1 3 0 46 229.279 1 ↓
Lo Low (pH 4.5-6) 1.92 4.41 -27.05 2 3 1 48 230.287 1 ↓

Analogs

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Popular Name: (6S)-6-hydroxy-3-[(S)-hydroxy-phenyl-methyl]-5,6-dihydro-4H-benzofuran-2-one (6S)-6-hydroxy-3-[(S)-hydroxy-ph…

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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) 1.22 3.7 -63.57 1 4 -1 73 257.265 2 ↓

Analogs

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Popular Name: (6S)-6-hydroxy-3-[(R)-hydroxy-phenyl-methyl]-5,6-dihydro-4H-benzofuran-2-one (6S)-6-hydroxy-3-[(R)-hydroxy-ph…

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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) 1.22 3.45 -12.66 2 4 0 71 258.273 2 ↓

Analogs

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Popular Name: (6R)-6-hydroxy-3-[(S)-hydroxy-phenyl-methyl]-5,6-dihydro-4H-benzofuran-2-one (6R)-6-hydroxy-3-[(S)-hydroxy-ph…

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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) 1.22 3.39 -12.6 2 4 0 71 258.273 2 ↓

Analogs

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Popular Name: (6R)-6-hydroxy-3-[(R)-hydroxy-phenyl-methyl]-5,6-dihydro-4H-benzofuran-2-one (6R)-6-hydroxy-3-[(R)-hydroxy-ph…

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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) 1.22 3.43 -12.9 2 4 0 71 258.273 2 ↓

Analogs

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Popular Name: 2,3,4,6,7,8-hexahydro-1H-carbazole 2,3,4,6,7,8-hexahydro-1H-carbazole

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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) 2.78 6.97 -9.55 0 1 0 13 173.259 0 ↓

Analogs

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Popular Name: 2-thienylmethyleneBLAHone 2-thienylmethyleneBLAHone

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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) 2.10 -1.67 -14.98 1 5 0 63 284.344 1 ↓

Analogs

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Popular Name: (9R)-4,4-dimethyl-9-oxo-N,8-diphenyl-2-pyrrolidin-1-yl-7,8-diaza-9$l^{5}-phosphabicyclo[4.3.0]nona-1 (9R)-4,4-dimethyl-9-oxo-N,8-diph…

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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 11.53 -15.91 1 5 0 50 420.497 4 ↓

Analogs

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Popular Name: (9S)-N,N,4,4-tetramethyl-8-phenyl-2-(1-piperidyl)-9-thioxo-7,8-diaza-9$l^{5}-phosphabicyclo[4.3.0]no (9S)-N,N,4,4-tetramethyl-8-pheny…

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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) 5.46 14.25 -18.3 0 4 0 24 402.548 3 ↓

Analogs

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Popular Name: (9R)-N,N,4,4-tetramethyl-8-phenyl-2-(1-piperidyl)-9-thioxo-7,8-diaza-9$l^{5}-phosphabicyclo[4.3.0]no (9R)-N,N,4,4-tetramethyl-8-pheny…

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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) 5.46 14.47 -16.68 0 4 0 24 402.548 3 ↓

Analogs

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Popular Name: (9S)-4,4-dimethyl-8-phenyl-N-(2-pyridyl)-2-pyrrolidin-1-yl-9-thioxo-7,8-diaza-9$l^{5}-phosphabicyclo (9S)-4,4-dimethyl-8-phenyl-N-(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) 5.50 15.48 -52.33 2 5 1 47 438.561 4 ↓
Mid Mid (pH 6-8) 5.50 15.59 -23.16 1 5 0 46 437.553 4 ↓

Analogs

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Popular Name: (9R)-4,4-dimethyl-8-phenyl-N-(2-pyridyl)-2-pyrrolidin-1-yl-9-thioxo-7,8-diaza-9$l^{5}-phosphabicyclo (9R)-4,4-dimethyl-8-phenyl-N-(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) 5.50 15.18 -50.04 2 5 1 47 438.561 4 ↓
Mid Mid (pH 6-8) 5.50 15.69 -21.99 1 5 0 46 437.553 4 ↓

Analogs

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Popular Name: LS-136125 LS-136125

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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) 2.86 5.9 -12.54 3 5 0 77 303.435 2 ↓

Parameters Provided:

ring.id = 26056
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 = 26056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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