UCSF
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Analogs

25509850
25509850
7054455
7054455

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Popular Name: 4-(4-cyclohexylphenyl)sulfonylamino-N,N-dimethyl-benzamide 4-(4-cyclohexylphenyl)sulfonylam…

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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) 4.03 -3.18 -12.33 1 5 0 66 386.517 5 ↓
Hi High (pH 8-9.5) 4.03 -2.6 -42.21 0 5 -1 68 385.509 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-methanesulfonamido-phenyl)-4-cyclohexyl-benzenesulfonamide N-(3-chloro-4-methanesulfonamido…

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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) 4.90 5.56 -15.34 2 6 0 92 442.99 6 ↓
Hi High (pH 8-9.5) 4.90 5.63 -43.29 1 6 -1 94 441.982 6 ↓
Hi High (pH 8-9.5) 4.90 5.63 -40.3 1 6 -1 94 441.982 6 ↓

Analogs

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Popular Name: 2-[[4-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]amino]acetic 2-[[4-[(4-cyclohexylphenyl)sulfo…

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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) 2.59 6.46 -48.72 2 7 -1 115 415.491 7 ↓
Hi High (pH 8-9.5) 2.59 6.55 -90.31 1 7 -2 117 414.483 7 ↓

Analogs

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Popular Name: 4-chloro-3-[(4-cyclohexylphenyl)sulfonylamino]benzoic 4-chloro-3-[(4-cyclohexylphenyl)…

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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) 5.58 8.38 -53.14 1 5 -1 86 392.884 5 ↓

Analogs

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Popular Name: 5-[(4-cyclohexylphenyl)sulfonylamino]benzene-1,3-dicarboxylic 5-[(4-cyclohexylphenyl)sulfonyla…

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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) 4.81 7.35 -115.23 1 7 -2 126 401.44 6 ↓
Hi High (pH 8-9.5) 4.81 7.42 -194.32 0 7 -3 128 400.432 6 ↓

Analogs

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Popular Name: 2-[(4-cyclohexylphenyl)sulfonylamino]-4,5-dimethoxy-benzoic 2-[(4-cyclohexylphenyl)sulfonyla…

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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) 4.73 7.24 -49.47 1 7 -1 105 418.491 7 ↓
Hi High (pH 8-9.5) 4.73 7.32 -123.15 0 7 -2 107 417.483 7 ↓

Analogs

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Popular Name: 5-chloro-4-[(4-cyclohexylphenyl)sulfonylamino]-2-methoxy-benzoic 5-chloro-4-[(4-cyclohexylphenyl)…

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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) 5.65 8.46 -51.97 1 6 -1 96 422.91 6 ↓

Analogs

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Popular Name: 4-[(4-cyclohexylphenyl)sulfonylamino]-3-methylsulfanyl-benzoic 4-[(4-cyclohexylphenyl)sulfonyla…

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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) 5.34 8.88 -49.92 1 5 -1 86 404.533 6 ↓
Hi High (pH 8-9.5) 5.34 8.96 -103.21 0 5 -2 88 403.525 6 ↓

Analogs

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Popular Name: N-[3-chloro-4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]acetamide N-[3-chloro-4-[(4-cyclohexylphen…

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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 7.65 -13.24 2 5 0 75 406.935 5 ↓
Mid Mid (pH 6-8) 4.89 7.73 -48.94 1 5 -1 77 405.927 5 ↓

Analogs

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Popular Name: [4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]methylurea [4-[(4-cyclohexylphenyl)sulfonyl…

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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 4.44 -13.76 4 6 0 101 387.505 6 ↓
Hi High (pH 8-9.5) 3.90 4.47 -47.81 3 6 -1 103 386.497 6 ↓

Parameters Provided:

ring.id = 10151
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 = 10151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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