UCSF
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Analogs

11538803
11538803

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Popular Name: 3-benzo[1,3]dioxol-5-yl-N-[1-(4-chlorophenyl)propyl]prop-2-enamide 3-benzo[1,3]dioxol-5-yl-N-[1-(4-…

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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) 3.90 -0.43 -10.84 1 4 0 48 343.81 5 ↓

Analogs

11538801
11538801

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Popular Name: 3-benzo[1,3]dioxol-5-yl-N-[1-(4-chlorophenyl)propyl]prop-2-enamide 3-benzo[1,3]dioxol-5-yl-N-[1-(4-…

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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) 3.90 -0.43 -10.78 1 4 0 48 343.81 5 ↓

Analogs

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Popular Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-enamide (E)-3-(7-chloro-1,3-benzodioxol-…

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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) 4.88 8.35 -10.84 1 4 0 48 364.228 4 ↓

Analogs

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Popular Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]prop-2-enamide (E)-3-(7-chloro-1,3-benzodioxol-…

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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) 4.88 8.34 -12.87 1 4 0 48 364.228 4 ↓

Analogs

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Popular Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]prop-2-enamide (E)-3-(7-chloro-1,3-benzodioxol-…

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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) 4.28 6.54 -13.83 1 5 0 57 381.762 6 ↓

Analogs

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Popular Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-benzyl-amino]propanoic 3-[[(E)-3-(1,3-benzodioxol-5-yl)…

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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) 2.82 9.33 -46.25 0 6 -1 79 352.366 7 ↓

Analogs

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Popular Name: 3-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]-N-ethyl-benzamide 3-[[[(E)-3-(1,3-benzodioxol-5-yl…

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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 5.61 -17.82 2 6 0 77 352.39 6 ↓

Analogs

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Popular Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(m-tolylmethyl)prop-2-enamide (E)-3-(1,3-benzodioxol-5-yl)-N-(…

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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) 3.48 7.16 -10.69 1 4 0 48 295.338 4 ↓

Analogs

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Popular Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide (E)-3-(1,3-benzodioxol-5-yl)-N-[…

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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) 4.44 8.55 -11.25 1 4 0 48 323.392 4 ↓

Analogs

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Popular Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide (E)-3-(1,3-benzodioxol-5-yl)-N-[…

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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) 4.44 8.53 -11.25 1 4 0 48 323.392 4 ↓

Analogs

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Popular Name: (E)-N-allyl-3-(1,3-benzodioxol-5-yl)-N-[(3-cyanophenyl)methyl]prop-2-enamide (E)-N-allyl-3-(1,3-benzodioxol-5…

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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) 3.68 10.52 -16.98 0 5 0 63 346.386 6 ↓

Parameters Provided:

ring.id = 29531
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 = 29531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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