UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4433
4433
11655
11655
11677542
11677542
33995813
33995813

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Popular Name: dimethylBLAHol dimethylBLAHol

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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) 3.38 0.14 -42.51 2 3 1 33 296.39 0 ↓

Analogs

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Popular Name: methoxy-methyl-BLAH methoxy-methyl-BLAH

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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) 3.29 6.72 -10.05 0 5 0 40 325.364 1 ↓

Analogs

30726877
30726877

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Popular Name: trimethoxy-dimethyl-BLAH trimethoxy-dimethyl-BLAH

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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) -0.93 10.39 -45 0 5 1 37 356.442 3 ↓

Analogs

30726877
30726877

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Popular Name: dimethoxy-methyl-BLAHol dimethoxy-methyl-BLAHol

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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) 2.74 4.94 -10.55 1 5 0 51 327.38 2 ↓

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) 4.37 11.39 -9.31 0 3 0 36 296.366 4 ↓

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) 4.37 11.38 -9.41 0 3 0 36 296.366 4 ↓

Analogs

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Popular Name: (2S)-2-(5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-8-yl)propanoic (2S)-2-(5,6-dihydro-[1]benzoxepi…

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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) 3.12 7.24 -52.92 0 4 -1 62 268.292 2 ↓

Analogs

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Popular Name: (2R)-2-(5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-8-yl)propanoic (2R)-2-(5,6-dihydro-[1]benzoxepi…

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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) 3.12 7.24 -53.4 0 4 -1 62 268.292 2 ↓

Analogs

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Popular Name: (2S)-2-(5,6-dihydrobenzo[b][1]benzoxepin-8-yl)propanoic (2S)-2-(5,6-dihydrobenzo[b][1]be…

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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) 4.01 10.39 -48.73 0 3 -1 49 267.304 2 ↓

Analogs

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Popular Name: (2R)-2-(5,6-dihydrobenzo[b][1]benzoxepin-8-yl)propanoic (2R)-2-(5,6-dihydrobenzo[b][1]be…

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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) 4.01 10.38 -48.38 0 3 -1 49 267.304 2 ↓

Analogs

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Popular Name: (2S)-2-(5,6-dihydrobenzo[b][1]benzoxepin-10-yl)propanoic (2S)-2-(5,6-dihydrobenzo[b][1]be…

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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 10.4 -54.29 0 3 -1 49 267.304 2 ↓

Analogs

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Popular Name: (2R)-2-(5,6-dihydrobenzo[b][1]benzoxepin-10-yl)propanoic (2R)-2-(5,6-dihydrobenzo[b][1]be…

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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 10.48 -54.18 0 3 -1 49 267.304 2 ↓

Analogs

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Popular Name: (2S)-2-(5,6-dihydrobenzo[b][1]benzoxepin-8-yl)propanamide (2S)-2-(5,6-dihydrobenzo[b][1]be…

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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 6.54 -12.63 2 3 0 52 267.328 2 ↓

Analogs

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Popular Name: (2R)-2-(5,6-dihydrobenzo[b][1]benzoxepin-8-yl)propanamide (2R)-2-(5,6-dihydrobenzo[b][1]be…

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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 6.54 -12.74 2 3 0 52 267.328 2 ↓

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) 3.99 10.48 -8.53 0 3 0 36 282.339 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) 3.99 10.47 -8.36 0 3 0 36 282.339 3 ↓

Analogs

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Popular Name: (2S)-2-(5,6-dihydrobenzo[b][1]benzoxepin-9-yl)propanoic (2S)-2-(5,6-dihydrobenzo[b][1]be…

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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) 4.01 10.37 -48.6 0 3 -1 49 267.304 2 ↓

Analogs

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Popular Name: (2R)-2-(5,6-dihydrobenzo[b][1]benzoxepin-9-yl)propanoic (2R)-2-(5,6-dihydrobenzo[b][1]be…

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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) 4.01 10.45 -48.75 0 3 -1 49 267.304 2 ↓

Analogs

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Popular Name: (2S)-2-(5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-8-yl)propanamide (2S)-2-(5,6-dihydro-[1]benzoxepi…

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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) 2.60 3.39 -17.13 2 4 0 65 268.316 2 ↓

Analogs

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Popular Name: (2R)-2-(5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-8-yl)propanamide (2R)-2-(5,6-dihydro-[1]benzoxepi…

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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) 2.60 3.4 -17.68 2 4 0 65 268.316 2 ↓

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) 3.47 8.26 -13.74 0 4 0 48 297.354 4 ↓

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) 3.47 8.26 -14.16 0 4 0 48 297.354 4 ↓

Parameters Provided:

ring.id = 56
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 = 56 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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