UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3831250
3831250
3831251
3831251
11616205
11616205
40017479
40017479
40163458
40163458

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Popular Name: (2S,11bR)-10-chloro-2-methyl-11b-phenyl-3,4,5,7-tetrahydro-2H-oxazolo[3,2-d][1,4]benzodiazepin-4-ium (2S,11bR)-10-chloro-2-methyl-11b…

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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) 3.80 -0.67 -36.28 2 4 1 42 329.807 1 ↓

Analogs

39703647
39703647
39703651
39703651

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Popular Name: (3-methoxyphenyl)-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-methanone (3-methoxyphenyl)-[4-(2-thienyls…

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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) 2.12 -4.58 -17.54 0 7 0 76 422.528 4 ↓

Analogs

20614800
20614800
39703640
39703640
39703651
39703651

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Popular Name: (4-ethoxyphenyl)-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-methanone (4-ethoxyphenyl)-[4-(2-thienylsu…

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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) 2.52 -4.55 -15.41 0 7 0 76 436.555 5 ↓

Analogs

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Popular Name: (4-bromophenyl)-[4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-methanone (4-bromophenyl)-[4-(2-thienylsul…

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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) 2.89 -5.36 -13.48 0 6 0 66 471.398 3 ↓

Analogs

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Popular Name: 4-(p-tolylsulfonyl)-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(p-tolylsulfonyl)-8-(2-thienyl…

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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) 2.88 3.57 -14.71 0 7 0 84 442.584 4 ↓

Analogs

38568391
38568391

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Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(p-…

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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) 3.61 -7.74 -13.21 0 7 0 83 471 4 ↓

Analogs

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Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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) 3.76 -6.85 -14.12 0 7 0 83 464.609 4 ↓

Analogs

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Popular Name: 8-(2,5-dimethoxyphenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethoxyphenyl)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) 2.97 -7.15 -17.33 0 9 0 102 496.607 6 ↓

Analogs

9708516
9708516

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Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)sul…

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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) 3.36 -6.83 -16.42 0 8 0 93 480.608 5 ↓

Analogs

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Popular Name: 8-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylsulfonyl)-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4 8-(2,5-dioxabicyclo[4.4.0]deca-7…

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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) 2.44 -8.46 -17.04 0 9 0 102 494.591 4 ↓

Analogs

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Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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) 2.49 2.19 -15.45 0 8 0 93 458.583 5 ↓

Analogs

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Popular Name: 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-difluorophenyl)sulfonyl-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) 2.79 3.18 -14.94 0 8 0 93 488.534 5 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(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) 2.70 3.28 -14.19 0 8 0 93 470.544 5 ↓

Analogs

9708505
9708505

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Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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) 3.74 5.17 -14.93 0 8 0 93 494.635 5 ↓

Analogs

9708496
9708496
12342419
12342419
4850473
4850473

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Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-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) 2.54 3.21 -15.43 0 8 0 93 452.554 5 ↓

Analogs

12342407
12342407

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Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(p…

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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) 2.99 3.89 -16.49 0 8 0 93 466.581 5 ↓

Analogs

38568408
38568408

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Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(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) 3.22 3.73 -13.99 0 8 0 93 486.999 5 ↓

Analogs

12342419
12342419
4850473
4850473

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Popular Name: 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane 4,8-bis[(4-methoxyphenyl)sulfony…

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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 2.51 -16.96 0 9 0 102 482.58 6 ↓

Analogs

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Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(4-nitrophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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) 2.50 3.92 -15.84 0 11 0 139 497.551 6 ↓

Analogs

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Popular Name: 8-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluoro-2-methyl-phenyl)sulf…

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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) 3.08 3.52 -15 0 8 0 93 484.571 5 ↓

Analogs

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Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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) 3.36 4.2 -17.09 0 8 0 93 480.608 5 ↓

Analogs

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Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)sul…

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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) 2.97 3.72 -18.97 0 9 0 102 496.607 6 ↓

Analogs

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Popular Name: 8-(2-thienylsulfonyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-thienylsulfonyl)-4-(2,4,6-t…

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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) 3.63 -7.47 -15.73 0 7 0 83 470.638 4 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(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) 3.85 -5.77 -13.87 0 7 0 83 482.599 4 ↓

Analogs

9708504
9708504
9708511
9708511
12342405
12342405
38567816
38567816
38633481
38633481

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Popular Name: 8-phenylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-phenylsulfonyl-4-(2,4,6-trimet…

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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 -6.51 -15.43 0 7 0 83 464.609 4 ↓

Analogs

9708511
9708511
12342405
12342405
38567816
38567816
38633481
38633481
4850476
4850476

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Popular Name: 8-(p-tolylsulfonyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(p-tolylsulfonyl)-4-(2,4,6-tri…

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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) 4.13 6.03 -15.88 0 7 0 84 478.636 4 ↓

Analogs

9708492
9708492

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Popular Name: 8-(4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-methoxyphenyl)sulfonyl-4-(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) 3.74 4.72 -15.3 0 8 0 93 494.635 5 ↓

Analogs

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Popular Name: 8-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]deca 8-(4-fluoro-2-methyl-phenyl)sulf…

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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) 4.22 -5.2 -13.91 0 7 0 83 496.626 4 ↓

Analogs

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Popular Name: 8-(4-fluoro-3-methyl-phenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]deca 8-(4-fluoro-3-methyl-phenyl)sulf…

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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) 4.22 -5.49 -14.06 0 7 0 83 496.626 4 ↓

Analogs

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Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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) 4.51 -5.62 -15.44 0 7 0 83 492.663 4 ↓

Analogs

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Popular Name: 4-phenylsulfonyl-8-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(2-thienylsul…

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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) 2.43 2.89 -14.97 0 7 0 84 428.557 4 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-phe…

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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) 2.65 -7.18 -13.66 0 7 0 83 440.518 4 ↓

Analogs

12342405
12342405
38567816
38567816
38633481
38633481
4850476
4850476
9708503
9708503

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Popular Name: 4-phenylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(2,4,6-trimet…

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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 -6.47 -14.67 0 7 0 83 464.609 4 ↓

Analogs

12342406
12342406
35590108
35590108
39703473
39703473

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Popular Name: 4-phenylsulfonyl-8-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(p-tolylsulfo…

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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) 2.93 -7.6 -14.92 0 7 0 83 436.555 4 ↓

Analogs

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Popular Name: 8-(4-nitrophenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-nitrophenyl)sulfonyl-4-phen…

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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) 2.44 -7.4 -15.33 0 10 0 129 467.525 5 ↓

Analogs

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Popular Name: 8-(4-fluoro-3-methyl-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluoro-3-methyl-phenyl)sulf…

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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) 3.02 -6.9 -13.83 0 7 0 83 454.545 4 ↓

Analogs

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Popular Name: 8-(2,5-dimethoxyphenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethoxyphenyl)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) 2.52 3.05 -19.65 0 9 0 102 482.58 6 ↓

Analogs

9708487
9708487

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Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)sul…

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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) 2.92 4.42 -18.5 0 8 0 93 466.581 5 ↓

Analogs

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Popular Name: 8-(5-fluoro-2-methoxy-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(5-fluoro-2-methoxy-phenyl)sul…

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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) 2.63 3.82 -18.06 0 8 0 93 470.544 5 ↓

Analogs

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Popular Name: 8-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylsulfonyl)-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5] 8-(2,5-dioxabicyclo[4.4.0]deca-7…

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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) 1.99 -8.78 -17.3 0 9 0 102 480.564 4 ↓

Analogs

4850480
4850480

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Popular Name: 4,8-bis(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4,8-bis(2-thienylsulfonyl)-1-oxa…

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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) 2.38 -9.66 -14.99 0 7 0 83 434.586 4 ↓

Analogs

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Popular Name: 8-(3,4-dimethoxyphenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(3,4-dimethoxyphenyl)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) 2.08 2.14 -18.4 0 9 0 102 488.609 6 ↓

Analogs

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Popular Name: 8-(2,5-difluorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-difluorophenyl)sulfonyl-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) 2.68 2.9 -16.61 0 7 0 84 464.537 4 ↓

Analogs

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Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(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) 2.59 3 -15.18 0 7 0 84 446.547 4 ↓

Analogs

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Popular Name: 4-(2-thienylsulfonyl)-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(2-thienylsulfonyl)-8-(2,4,6-t…

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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) 3.63 4.85 -15.77 0 7 0 84 470.638 4 ↓

Analogs

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Popular Name: 8-phenylsulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-phenylsulfonyl-4-(2-thienylsul…

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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) 2.43 2.94 -16.47 0 7 0 84 428.557 4 ↓

Analogs

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Popular Name: 8-(p-tolylsulfonyl)-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(p-tolylsulfonyl)-4-(2-thienyl…

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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) 2.88 3.61 -16.29 0 7 0 84 442.584 4 ↓

Analogs

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Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(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) 3.11 3.45 -14.97 0 7 0 84 463.002 4 ↓

Analogs

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Popular Name: 8-(4-methoxyphenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-methoxyphenyl)sulfonyl-4-(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) 2.49 2.24 -16.69 0 8 0 93 458.583 5 ↓

Analogs

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Popular Name: 8-(4-nitrophenyl)sulfonyl-4-(2-thienylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-nitrophenyl)sulfonyl-4-(2-t…

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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) 2.39 3.65 -16.47 0 10 0 130 473.554 5 ↓

Parameters Provided:

ring.id = 149
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 = 149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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