UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34952690
34952690
34952691
34952691
34969853
34969853
34969854
34969854
34969855
34969855

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Popular Name: 1-[(2S)-2-[(1S)-1-(4-cinnamylpiperazine-1-carbonyl)6-azaspiro[2.5]octane-6-carbonyl]pyrrolidin-1-yl] 1-[(2S)-2-[(1S)-1-(4-cinnamylpip…

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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 11.12 -24.84 0 7 0 64 478.637 5 ↓

Analogs

34952690
34952690
34952691
34952691
34969853
34969853
34969854
34969854
34969855
34969855

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Popular Name: 1-[(2S)-2-[(1R)-1-(4-cinnamylpiperazine-1-carbonyl)6-azaspiro[2.5]octane-6-carbonyl]pyrrolidin-1-yl] 1-[(2S)-2-[(1R)-1-(4-cinnamylpip…

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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 10.95 -20.73 0 7 0 64 478.637 5 ↓

Analogs

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Popular Name: (E)-3-(2-fluorophenyl)-1-[(1S)-1-[4-(2-pyridyl)piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]prop (E)-3-(2-fluorophenyl)-1-[(1S)-1…

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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 -0.97 -44.61 1 6 1 58 449.55 4 ↓

Analogs

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Popular Name: (E)-3-(2-fluorophenyl)-1-[(1R)-1-[4-(2-pyridyl)piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]prop (E)-3-(2-fluorophenyl)-1-[(1R)-1…

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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 -0.99 -44.56 1 6 1 58 449.55 4 ↓

Analogs

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Popular Name: (2R)-6-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octan (2R)-6-[[1-(5-chloro-2-pyridyl)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) 4.61 0.94 -34.75 2 6 1 61 480.032 8 ↓

Analogs

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Popular Name: (2S)-6-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octan (2S)-6-[[1-(5-chloro-2-pyridyl)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) 4.61 1.16 -38.76 2 6 1 61 480.032 8 ↓

Analogs

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Popular Name: (2R)-6-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[(4-phenyltetrahydropyran-4-yl)methyl]-6-azaspiro[2.5]oc (2R)-6-(2,1,3-benzothiadiazol-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) 4.06 -3.51 -49.55 2 6 1 69 477.654 6 ↓

Analogs

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Popular Name: (2S)-6-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[(4-phenyltetrahydropyran-4-yl)methyl]-6-azaspiro[2.5]oc (2S)-6-(2,1,3-benzothiadiazol-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) 4.06 -3.58 -51.78 2 6 1 69 477.654 6 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-6-(3-methoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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) 1.95 -0.81 -14.27 0 6 0 59 386.492 3 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-(3-methoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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) 1.95 -0.75 -12.84 0 6 0 59 386.492 3 ↓

Analogs

11813218
11813218

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Popular Name: (1S)-N-(3-chloro-4-methoxy-phenyl)-6-[[5-(methoxymethyl)-2-furyl]methyl]-6-azaspiro[2.5]octane-1-car (1S)-N-(3-chloro-4-methoxy-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) 3.74 0.38 -46.93 2 6 1 65 419.929 7 ↓

Analogs

11813216
11813216

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Popular Name: (1R)-N-(3-chloro-4-methoxy-phenyl)-6-[[5-(methoxymethyl)-2-furyl]methyl]-6-azaspiro[2.5]octane-1-car (1R)-N-(3-chloro-4-methoxy-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) 3.74 0.46 -52.61 2 6 1 65 419.929 7 ↓

Analogs

11813257
11813257

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Popular Name: (1R)-6-[(2,4-dimethylphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-[(2,4-dimethylphenyl)meth…

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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) 4.57 0.81 -41.68 2 4 1 43 407.578 7 ↓

Analogs

11813255
11813255

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Popular Name: (1S)-6-[(2,4-dimethylphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-[(2,4-dimethylphenyl)meth…

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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) 4.57 0.73 -50.63 2 4 1 43 407.578 7 ↓

Analogs

11813288
11813288

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Popular Name: (2R)-6-[(2,3-dimethoxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamid (2R)-6-[(2,3-dimethoxyphenyl)met…

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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) 3.57 0.69 -43.13 2 6 1 61 439.576 9 ↓

Analogs

11813287
11813287

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Popular Name: (2S)-6-[(2,3-dimethoxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamid (2S)-6-[(2,3-dimethoxyphenyl)met…

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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) 3.57 0.61 -42.33 2 6 1 61 439.576 9 ↓

Analogs

11813290
11813290

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Popular Name: (1S)-6-[2-(3-methoxyphenyl)acetyl]-N-[(4-phenyltetrahydropyran-4-yl)methyl]-6-azaspiro[2.5]octane-1- (1S)-6-[2-(3-methoxyphenyl)acety…

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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 -1.24 -15.22 1 6 0 68 476.617 7 ↓

Analogs

11813289
11813289

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Popular Name: (1R)-6-[2-(3-methoxyphenyl)acetyl]-N-[(4-phenyltetrahydropyran-4-yl)methyl]-6-azaspiro[2.5]octane-1- (1R)-6-[2-(3-methoxyphenyl)acety…

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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 -1.25 -18.1 1 6 0 68 476.617 7 ↓

Analogs

11813503
11813503

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Popular Name: (2R)-6-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6 (2R)-6-[(E)-3-(3,4-difluoropheny…

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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 3.12 -25.97 0 7 0 80 430.455 5 ↓

Analogs

11813501
11813501

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Popular Name: (2S)-6-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6 (2S)-6-[(E)-3-(3,4-difluoropheny…

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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 3.13 -28.2 0 7 0 80 430.455 5 ↓

Analogs

11813524
11813524
25070187
25070187
25070192
25070192

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Popular Name: (2S)-6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2 (2S)-6-[2-(2-oxo-1,3-benzoxazol-…

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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) 3.86 0.96 -20 1 7 0 85 487.6 6 ↓

Analogs

25070187
25070187
25070192
25070192
11813521
11813521

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Popular Name: (2R)-6-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2 (2R)-6-[2-(2-oxo-1,3-benzoxazol-…

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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) 3.86 1.05 -20.03 1 7 0 85 487.6 6 ↓

Analogs

11813561
11813561

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Popular Name: (1S)-6-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-1- (1S)-6-[(4-methoxy-2,5-dimethyl-…

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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) 4.56 0.86 -47.99 2 5 1 52 437.604 8 ↓

Analogs

11813559
11813559

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Popular Name: (1R)-6-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-1- (1R)-6-[(4-methoxy-2,5-dimethyl-…

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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) 4.56 0.9 -44.82 2 5 1 52 437.604 8 ↓

Analogs

11814152
11814152

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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) 1.57 -1.14 -18.35 0 9 0 89 443.5 4 ↓

Analogs

11814150
11814150

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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) 1.57 -1.12 -16.58 0 9 0 89 443.5 4 ↓

Analogs

11814276
11814276

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Popular Name: (2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[2-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carb (2R)-N-[2-(2-methoxyphenyl)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) 4.59 2.37 -37.64 2 4 1 43 447.521 8 ↓

Analogs

11814275
11814275

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Popular Name: (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[[2-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carb (2S)-N-[2-(2-methoxyphenyl)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) 4.59 2.34 -46.3 2 4 1 43 447.521 8 ↓

Analogs

11814502
11814502

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Popular Name: (1R)-N-(4-pyrazol-1-ylphenyl)-6-[(E)-3-(2-thienyl)prop-2-enoyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-N-(4-pyrazol-1-ylphenyl)-6-…

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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) 3.35 -0.04 -15.09 1 6 0 67 432.549 5 ↓

Analogs

11814500
11814500

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Popular Name: (1S)-N-(4-pyrazol-1-ylphenyl)-6-[(E)-3-(2-thienyl)prop-2-enoyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-N-(4-pyrazol-1-ylphenyl)-6-…

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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) 3.35 -0.08 -17.54 1 6 0 67 432.549 5 ↓

Analogs

11814713
11814713

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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) 3.06 0 -110.9 2 7 2 59 490.714 7 ↓

Analogs

11814710
11814710

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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) 3.06 0.06 -105.09 2 7 2 59 490.714 7 ↓

Analogs

11814867
11814867

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Popular Name: (2R)-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2 (2R)-6-[(7-methoxy-1,3-benzodiox…

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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) 3.42 -0.82 -51.16 2 7 1 70 453.559 8 ↓

Analogs

11814865
11814865

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Popular Name: (2S)-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2 (2S)-6-[(7-methoxy-1,3-benzodiox…

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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) 3.42 -0.75 -64.28 2 7 1 70 453.559 8 ↓

Analogs

11815135
11815135

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Popular Name: (2R)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-(1-phenylpyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carb (2R)-N-(2-methyl-1,3-benzothiazo…

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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) 2.57 -1.47 -18.68 1 7 0 80 471.586 4 ↓

Analogs

11815134
11815134

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Popular Name: (2S)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-(1-phenylpyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carb (2S)-N-(2-methyl-1,3-benzothiazo…

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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) 2.57 -1.51 -18.99 1 7 0 80 471.586 4 ↓

Analogs

11815211
11815211

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Popular Name: (2R)-6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carb (2R)-6-[(2-oxo-1H-quinolin-3-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) 4.16 -0.5 -46 3 5 1 66 470.637 6 ↓

Analogs

11815210
11815210

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Popular Name: (2S)-6-[(2-oxo-1H-quinolin-3-yl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carb (2S)-6-[(2-oxo-1H-quinolin-3-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) 4.16 -0.7 -41.89 3 5 1 66 470.637 6 ↓

Analogs

11816082
11816082
11816083
11816083
11816085
11816085

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Popular Name: (2R)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-[(1R)-3-oxoindane-1-carbonyl]-6-azaspiro[2.5]octane-2-carb (2R)-N-(2-methyl-1,3-benzothiazo…

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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 -2.18 -18.98 1 6 0 79 459.571 3 ↓

Analogs

11816083
11816083
11816085
11816085
11816080
11816080

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Popular Name: (2S)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-[(1R)-3-oxoindane-1-carbonyl]-6-azaspiro[2.5]octane-2-carb (2S)-N-(2-methyl-1,3-benzothiazo…

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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 -2.16 -21.17 1 6 0 79 459.571 3 ↓

Analogs

11816085
11816085
11816080
11816080
11816082
11816082

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Popular Name: (2R)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-[(1S)-3-oxoindane-1-carbonyl]-6-azaspiro[2.5]octane-2-carb (2R)-N-(2-methyl-1,3-benzothiazo…

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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 -2.17 -18.4 1 6 0 79 459.571 3 ↓

Analogs

11816080
11816080
11816082
11816082

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Popular Name: (2S)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-[(1S)-3-oxoindane-1-carbonyl]-6-azaspiro[2.5]octane-2-carb (2S)-N-(2-methyl-1,3-benzothiazo…

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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 -2.19 -22.11 1 6 0 79 459.571 3 ↓

Analogs

11816248
11816248

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Popular Name: 1-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]-2-phenylsulfanyl-et 1-[(2R)-2-[(2S,6R)-2,6-dimethylm…

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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) 2.73 -1.37 -17.93 0 5 0 50 402.56 4 ↓

Analogs

11816246
11816246

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Popular Name: 1-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]-2-phenylsulfanyl-et 1-[(2S)-2-[(2S,6R)-2,6-dimethylm…

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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) 2.73 -1.31 -18.27 0 5 0 50 402.56 4 ↓

Analogs

11838380
11838380

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Popular Name: (2S)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-c (2S)-6-[[3-(2-hydroxyethoxy)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) 4.41 -1.5 -47.88 3 5 1 63 463.642 9 ↓

Analogs

11838379
11838379

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Popular Name: (2R)-6-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-c (2R)-6-[[3-(2-hydroxyethoxy)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) 4.41 -1.41 -48.36 3 5 1 63 463.642 9 ↓

Analogs

11838662
11838662

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Popular Name: (2R)-N-benzyl-6-[4-(1-piperidylmethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (2R)-N-benzyl-6-[4-(1-piperidylm…

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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) 3.21 -1.08 -47.97 2 5 1 54 446.615 6 ↓

Analogs

11838661
11838661

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Popular Name: (2S)-N-benzyl-6-[4-(1-piperidylmethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide (2S)-N-benzyl-6-[4-(1-piperidylm…

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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) 3.21 -0.97 -47.21 2 5 1 54 446.615 6 ↓

Analogs

11838683
11838683

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Popular Name: (1S)-N-[2-(1-cyclohexenyl)ethyl]-6-[4-(4-methoxyphenyl)-4-oxo-butanoyl]-6-azaspiro[2.5]octane-1-carb (1S)-N-[2-(1-cyclohexenyl)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) 3.98 -0.75 -15.22 1 6 0 76 452.595 9 ↓

Analogs

11838681
11838681

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Popular Name: (1R)-N-[2-(1-cyclohexenyl)ethyl]-6-[4-(4-methoxyphenyl)-4-oxo-butanoyl]-6-azaspiro[2.5]octane-1-carb (1R)-N-[2-(1-cyclohexenyl)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) 3.98 -0.82 -13.66 1 6 0 76 452.595 9 ↓

Parameters Provided:

ring.id = 2613
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 = 2613 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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