UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10498266
10498266

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Popular Name: [3-(4-methoxyphenyl)isoxazol-5-yl]methylBLAHdione [3-(4-methoxyphenyl)isoxazol-5-y…

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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) 3.46 0.13 -12.78 1 7 0 84 403.438 4 ↓

Analogs

10498264
10498264

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Popular Name: [3-(4-methoxyphenyl)isoxazol-5-yl]methylBLAHdione [3-(4-methoxyphenyl)isoxazol-5-y…

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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) 3.46 -0.14 -12.36 1 7 0 84 403.438 4 ↓

Analogs

10498270
10498270

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Popular Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methylBLAHdione (1,3-dimethyl-2,6-dioxo-pyrimidi…

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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) 0.77 -1.35 -13.5 1 8 0 93 368.393 2 ↓

Analogs

10498269
10498269

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Popular Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methylBLAHdione (1,3-dimethyl-2,6-dioxo-pyrimidi…

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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) 0.77 -1.84 -12.87 1 8 0 93 368.393 2 ↓

Analogs

20895375
20895375
20895378
20895378
20895381
20895381
25445081
25445081
25445085
25445085

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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) 3.98 9.95 -19.52 2 8 0 105 481.574 5 ↓

Analogs

20895378
20895378
20895381
20895381
25445081
25445081
25445085
25445085
25445089
25445089

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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) 3.98 10.22 -18.94 2 8 0 105 481.574 5 ↓

Analogs

20895381
20895381
25445081
25445081
25445085
25445085
25445089
25445089
25445093
25445093

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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) 3.98 9.96 -19.53 2 8 0 105 481.574 5 ↓

Analogs

25445081
25445081
25445085
25445085
25445089
25445089
25445093
25445093
20895372
20895372

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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) 3.98 10.19 -18.12 2 8 0 105 481.574 5 ↓

Analogs

36640855
36640855
3600740
3600740
3600743
3600743

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Popular Name: N-benzhydryl-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]-N-methyl-acetamide N-benzhydryl-2-[(4S)-2,5-dioxosp…

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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) 4.14 12.57 -15.1 1 6 0 70 453.542 5 ↓

Analogs

36640853
36640853
3600740
3600740
3600743
3600743

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Popular Name: N-benzhydryl-2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]-N-methyl-acetamide N-benzhydryl-2-[(4R)-2,5-dioxosp…

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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) 4.14 12.32 -16.73 1 6 0 70 453.542 5 ↓

Analogs

13014031
13014031

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Popular Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]acetamide N-(6-acetyl-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) 2.50 6.59 -18.87 2 9 0 114 435.436 4 ↓

Analogs

13014029
13014029

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Popular Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]acetamide N-(6-acetyl-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) 2.50 6.9 -18.75 2 9 0 114 435.436 4 ↓

Analogs

9170013
9170013

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Popular Name: (5S)-3-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl]spiro[imidazolidine-5,1'-t (5S)-3-[2-[2,5-dimethyl-1-(5-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) 2.64 11.73 -16.09 1 8 0 97 432.48 4 ↓

Analogs

13128264
13128264
4285067
4285067
4285069
4285069

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Popular Name: (5R)-3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-tetralin]-2,4- (5R)-3-[2-(2,5-dimethyl-1-phenet…

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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) 3.92 13.85 -15.81 1 6 0 71 455.558 6 ↓

Analogs

4285067
4285067
4285069
4285069

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Popular Name: (5S)-3-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-tetralin]-2,4- (5S)-3-[2-(2,5-dimethyl-1-phenet…

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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) 3.92 14.11 -14.6 1 6 0 71 455.558 6 ↓

Analogs

9252792
9252792
9252803
9252803
9252813
9252813

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Popular Name: N-[(R)-(4-chlorophenyl)-phenyl-methyl]-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]acet N-[(R)-(4-chlorophenyl)-phenyl-m…

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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) 5.07 11.92 -16.43 2 6 0 79 473.96 5 ↓

Analogs

9512296
9512296
9512298
9512298

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]-N-ethyl-ac N-[(3,4-dimethoxyphenyl)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) 2.38 9.33 -19.21 1 8 0 88 451.523 7 ↓

Analogs

36874967
36874967

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Popular Name: (5S)-3-[2-(2,4-diisopropylphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5S)-3-[2-(2,4-diisopropylphenyl…

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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) 5.24 12.55 -11.36 1 5 0 66 418.537 5 ↓

Analogs

36874966
36874966

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Popular Name: (5R)-3-[2-(2,4-diisopropylphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5R)-3-[2-(2,4-diisopropylphenyl…

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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) 5.24 12.3 -12.9 1 5 0 66 418.537 5 ↓

Analogs

36874969
36874969

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Popular Name: (5S)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]spiro[imidazolidine-5, (5S)-3-[2-[1-[2-(4-methoxyphenyl…

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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) 3.97 13.48 -16.42 1 7 0 81 485.584 7 ↓

Analogs

36874968
36874968

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Popular Name: (5R)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]spiro[imidazolidine-5, (5R)-3-[2-[1-[2-(4-methoxyphenyl…

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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) 3.97 13.23 -17.78 1 7 0 81 485.584 7 ↓

Analogs

36879676
36879676

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Popular Name: (5S)-3-[(3-methylquinoxalin-2-yl)methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5S)-3-[(3-methylquinoxalin-2-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) 3.27 7.48 -12.63 1 6 0 75 372.428 2 ↓

Analogs

36879674
36879674

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Popular Name: (5R)-3-[(3-methylquinoxalin-2-yl)methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5R)-3-[(3-methylquinoxalin-2-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) 3.27 7.23 -14 1 6 0 75 372.428 2 ↓

Analogs

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Popular Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl [5-(3-thienyl)-1,2,4-oxadiazol-3…

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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 7.11 -17.11 1 9 0 115 438.465 6 ↓

Analogs

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Popular Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl [5-(3-thienyl)-1,2,4-oxadiazol-3…

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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 7.41 -16.66 1 9 0 115 438.465 6 ↓

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) 3.39 8.36 -22.77 2 8 0 105 441.509 6 ↓

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) 3.39 8.62 -22.32 2 8 0 105 441.509 6 ↓

Analogs

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Popular Name: N-[(2,4-dichlorophenyl)methyl]-2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]-N-methyl-ac N-[(2,4-dichlorophenyl)methyl]-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) 3.64 10.72 -15.92 1 6 0 70 446.334 4 ↓

Analogs

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Popular Name: N-[(2,4-dichlorophenyl)methyl]-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]-N-methyl-ac N-[(2,4-dichlorophenyl)methyl]-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) 3.64 10.95 -16.7 1 6 0 70 446.334 4 ↓

Analogs

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Popular Name: (5S)-3-[(2-propylthiazol-4-yl)methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5S)-3-[(2-propylthiazol-4-yl)me…

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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 7.93 -10.72 1 5 0 62 355.463 4 ↓

Analogs

14230207
14230207
9582114
9582114
9582117
9582117

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Popular Name: N-benzyl-2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]-N-(2-furylmethyl)acetamide N-benzyl-2-[(4R)-2,5-dioxospiro[…

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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) 3.01 11.09 -17.45 1 7 0 83 443.503 6 ↓

Analogs

14230203
14230203
9582114
9582114

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Popular Name: N-benzyl-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]-N-(2-furylmethyl)acetamide N-benzyl-2-[(4S)-2,5-dioxospiro[…

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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) 3.01 11.52 -17.7 1 7 0 83 443.503 6 ↓

Analogs

14241715
14241715

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Popular Name: (5R)-3-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5R)-3-[[4-(1,3-benzothiazol-2-y…

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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) 3.79 8.88 -14.31 1 6 0 66 446.576 3 ↓

Analogs

14241714
14241714

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Popular Name: (5S)-3-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5S)-3-[[4-(1,3-benzothiazol-2-y…

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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) 3.79 9.09 -13.93 1 6 0 66 446.576 3 ↓

Analogs

14245664
14245664

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Popular Name: (5R)-3-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5R)-3-[(4-indan-5-ylsulfonylpip…

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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) 2.84 7.31 -15.47 1 8 0 90 494.617 4 ↓

Analogs

14245663
14245663

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Popular Name: (5S)-3-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5S)-3-[(4-indan-5-ylsulfonylpip…

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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) 2.84 7.54 -14.93 1 8 0 90 494.617 4 ↓

Analogs

14245705
14245705

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Popular Name: (5R)-3-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]methyl]spiro[imidazolidine-5,1'-tetrali (5R)-3-[[4-(3,5-dimethylisoxazol…

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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) 1.28 4.43 -16.38 1 10 0 116 473.555 4 ↓

Analogs

14245704
14245704

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Popular Name: (5S)-3-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]methyl]spiro[imidazolidine-5,1'-tetrali (5S)-3-[[4-(3,5-dimethylisoxazol…

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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) 1.28 5.01 -16.27 1 10 0 116 473.555 4 ↓

Analogs

14248586
14248586

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Popular Name: (5R)-3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dion (5R)-3-[[4-(4-ethoxyphenyl)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) 2.86 5.64 -15.96 1 9 0 99 498.605 6 ↓

Analogs

14248584
14248584

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Popular Name: (5S)-3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dion (5S)-3-[[4-(4-ethoxyphenyl)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) 2.86 5.88 -15.27 1 9 0 99 498.605 6 ↓

Analogs

14249890
14249890

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Popular Name: 4-[[4-[2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]acetyl]piperazin-1-yl]methyl]benzoni 4-[[4-[2-[(4R)-2,5-dioxospiro[im…

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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) 2.01 8.61 -20.22 1 8 0 97 457.534 4 ↓

Analogs

14249888
14249888

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Popular Name: 4-[[4-[2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-tetralin]-1-yl]acetyl]piperazin-1-yl]methyl]benzoni 4-[[4-[2-[(4S)-2,5-dioxospiro[im…

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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) 2.01 8.85 -19.91 1 8 0 97 457.534 4 ↓

Analogs

14253349
14253349

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Popular Name: (5R)-3-[2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5R)-3-[2-(3-methylbenzofuran-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) 3.70 9.71 -14.15 1 6 0 80 388.423 3 ↓

Analogs

14253346
14253346

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Popular Name: (5S)-3-[2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5S)-3-[2-(3-methylbenzofuran-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) 3.70 9.96 -13.77 1 6 0 80 388.423 3 ↓

Analogs

14253440
14253440
12780986
12780986
12780990
12780990

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Popular Name: (5R)-6'-methoxy-3-[3-(4-methoxyphenoxy)propyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5R)-6'-methoxy-3-[3-(4-methoxyp…

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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) 3.65 7.33 -12.46 1 7 0 77 410.47 7 ↓

Analogs

14253438
14253438
12780986
12780986

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Popular Name: (5S)-6'-methoxy-3-[3-(4-methoxyphenoxy)propyl]spiro[imidazolidine-5,1'-tetralin]-2,4-dione (5S)-6'-methoxy-3-[3-(4-methoxyp…

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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) 3.65 7.54 -12.23 1 7 0 77 410.47 7 ↓

Analogs

3402982
3402982
3402986
3402986
3402989
3402989

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Popular Name: (5R)-3-[2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl]-6'-methoxy-s (5R)-3-[2-[2,5-dimethyl-1-[[(2R)…

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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 -0.81 -18.47 1 8 0 89 465.55 6 ↓

Analogs

3402986
3402986
3402989
3402989
3402979
3402979

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Popular Name: (5S)-3-[2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl]-6'-methoxy-s (5S)-3-[2-[2,5-dimethyl-1-[[(2R)…

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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 9.97 -16.01 1 8 0 90 465.55 6 ↓

Analogs

3402989
3402989
3402979
3402979
3402982
3402982

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl]-6'-methoxy-s (5R)-3-[2-[2,5-dimethyl-1-[[(2S)…

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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 -0.96 -16.62 1 8 0 89 465.55 6 ↓

Analogs

3402979
3402979
3402982
3402982

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl]-6'-methoxy-s (5S)-3-[2-[2,5-dimethyl-1-[[(2S)…

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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 -0.52 -17.36 1 8 0 89 465.55 6 ↓

Parameters Provided:

ring.id = 8451
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 = 8451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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