UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35708267
35708267
35708268
35708268
21954717
21954717

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Popular Name: (2R,3aR,7aR)-1-(2-fluorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aR,7aR)-1-(2-fluorobenzoyl)…

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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) 1.60 8.55 -52.36 0 4 -1 60 290.314 2 ↓

Analogs

35708267
35708267
35708268
35708268
21954717
21954717

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Popular Name: (2R,3aS,7aR)-1-(2-fluorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2R,3aS,7aR)-1-(2-fluorobenzoyl)…

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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) 1.60 8.55 -53.8 0 4 -1 60 290.314 2 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[3-(dipropylsulfamoyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[3-(dipropylsulfa…

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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) 2.53 8.73 -50.48 0 7 -1 98 435.566 8 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(4-dimethylamino-3-nitro-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(4-dimethylamino-…

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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) 1.47 8.74 -49.22 0 8 -1 109 360.39 4 ↓

Analogs

22143506
22143506
22143508
22143508
22143510
22143510
22143511
22143511

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Popular Name: (2S,3aS,7aS)-1-(3-methylsulfonylbenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(3-methylsulfonyl…

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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) 0.33 5.03 -51.77 0 6 -1 95 350.416 3 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(3-chloro-5-ethoxy-4-propoxy-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(3-chloro-5-ethox…

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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) 3.19 9.99 -47.55 0 6 -1 79 408.902 7 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(3-bromo-4-methoxy-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(3-bromo-4-methox…

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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) 2.28 7.47 -48.76 0 5 -1 70 381.246 3 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[3-(methoxy-methyl-sulfamoyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[3-(methoxy-methy…

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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) 0.73 5.44 -47.74 0 8 -1 107 395.457 5 ↓

Analogs

35708287
35708287
35708288
35708288

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Popular Name: (2S,3aS,7aS)-1-(2-bromo-4-fluoro-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(2-bromo-4-fluoro…

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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 8.16 -43.6 0 4 -1 60 369.21 2 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(2,4-dichloro-5-fluoro-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(2,4-dichloro-5-f…

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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 8.59 -43.5 0 4 -1 60 359.204 2 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[4-methoxy-3-(methoxy-methyl-sulfamoyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-c (2S,3aS,7aS)-1-[4-methoxy-3-(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) 0.74 5.43 -58.08 0 9 -1 116 425.483 6 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(2-methoxy-5-nitro-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(2-methoxy-5-nitr…

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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) 1.97 8.25 -53 0 8 -1 115 347.347 4 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(2-methoxy-5-methyl-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(2-methoxy-5-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) 2.46 8.25 -55.71 0 5 -1 70 316.377 3 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[4-(methoxy-methyl-sulfamoyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[4-(methoxy-methy…

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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) 0.75 5.42 -53.35 0 8 -1 107 395.457 5 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(3-fluoro-4-methyl-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(3-fluoro-4-methy…

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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) 2.02 8.2 -49.24 0 4 -1 60 304.341 2 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[4-(trifluoromethylsulfanyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[4-(trifluorometh…

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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) 5.46 9.03 -45.74 0 4 -1 60 372.388 4 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(4-bromo-2-fluoro-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(4-bromo-2-fluoro…

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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 8.15 -45.74 0 4 -1 60 369.21 2 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(4-chloro-2-fluoro-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(4-chloro-2-fluor…

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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) 2.25 8.04 -45.7 0 4 -1 60 324.759 2 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[3-(methylsulfonylmethyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[3-(methylsulfony…

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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) 0.83 5.71 -68.7 0 6 -1 95 364.443 4 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(5-methylsulfanyl-2-nitro-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(5-methylsulfanyl…

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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) 1.80 9.83 -56.43 0 7 -1 106 363.415 4 ↓

Analogs

22142870
22142870
22142876
22142876

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Popular Name: (2S,3aS,7aS)-1-(2-bromo-5-fluoro-benzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-(2-bromo-5-fluoro…

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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 8.18 -48.56 0 4 -1 60 369.21 2 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[3-(isopropylsulfamoyl)-4-methoxy-benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbox (2S,3aS,7aS)-1-[3-(isopropylsulf…

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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) 1.21 4.94 -58.71 1 8 -1 116 423.511 6 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[4-(isopropylsulfamoyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[4-(isopropylsulf…

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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) 1.22 5.13 -54.22 1 7 -1 107 393.485 5 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[4-(sec-butylsulfamoyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[4-(sec-butylsulf…

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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) 1.76 5.89 -54.07 1 7 -1 107 407.512 6 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[4-(sec-butylsulfamoyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[4-(sec-butylsulf…

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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) 1.76 5.97 -54.12 1 7 -1 107 407.512 6 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[3-(allylsulfamoyl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[3-(allylsulfamoy…

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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) 1.17 5.07 -49.82 1 7 -1 107 391.469 6 ↓

Analogs

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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) 4.22 8.33 -20.1 0 7 0 84 456.992 7 ↓

Analogs

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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) 4.22 8.62 -20.9 0 7 0 84 456.992 7 ↓

Analogs

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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) 4.22 8.39 -20.82 0 7 0 84 456.992 7 ↓

Analogs

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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) 4.22 8.58 -20.21 0 7 0 84 456.992 7 ↓

Analogs

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Popular Name: (2S,3aR,7aS)-1-(3-chlorobenzoyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (2S,3aR,7aS)-1-(3-chlorobenzoyl)…

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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) 3.45 6.54 -19.94 1 4 0 49 320.82 2 ↓

Analogs

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Popular Name: (2R,3aR,7aS)-1-(3-chlorobenzoyl)-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (2R,3aR,7aS)-1-(3-chlorobenzoyl)…

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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) 3.25 8.49 -19.79 0 4 0 41 334.847 2 ↓

Analogs

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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) 3.40 9 -23.24 1 6 0 76 386.492 8 ↓

Analogs

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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) 3.40 9.24 -24.28 1 6 0 76 386.492 8 ↓

Analogs

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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) 3.40 9.19 -26.2 1 6 0 76 386.492 8 ↓

Analogs

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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) 3.40 9.34 -25.34 1 6 0 76 386.492 8 ↓

Analogs

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Popular Name: [(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(2,3-difluorophenyl)methanone [(3aR,7aS)-2,3,3a,4,5,6,7,7a-oct…

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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) 3.04 8.01 -14.79 0 2 0 20 265.303 1 ↓

Analogs

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Popular Name: [(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(2,3-difluorophenyl)methanone [(3aS,7aS)-2,3,3a,4,5,6,7,7a-oct…

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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) 3.04 8.05 -14.24 0 2 0 20 265.303 1 ↓

Analogs

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Popular Name: [(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(2,3-difluorophenyl)methanone [(3aR,7aR)-2,3,3a,4,5,6,7,7a-oct…

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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) 3.04 8.08 -14.17 0 2 0 20 265.303 1 ↓

Analogs

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Popular Name: [(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(2,3-difluorophenyl)methanone [(3aS,7aR)-2,3,3a,4,5,6,7,7a-oct…

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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) 3.04 8.02 -14.61 0 2 0 20 265.303 1 ↓

Analogs

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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) 3.55 8.72 -13.32 0 4 0 47 287.359 3 ↓

Analogs

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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) 3.55 8.56 -14.72 0 4 0 47 287.359 3 ↓

Analogs

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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) 3.55 8.79 -14.08 0 4 0 47 287.359 3 ↓

Analogs

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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) 2.66 6.79 -14.63 1 6 0 76 344.411 5 ↓

Analogs

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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) 2.66 7.02 -15.05 1 6 0 76 344.411 5 ↓

Analogs

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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) 2.66 6.96 -16.44 1 6 0 76 344.411 5 ↓

Analogs

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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) 2.66 7.1 -15.88 1 6 0 76 344.411 5 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-(3-chlorobenzoyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (2S,3aS,7aS)-1-(3-chlorobenzoyl)…

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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) 3.45 6.34 -17.39 1 4 0 49 320.82 2 ↓

Analogs

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Popular Name: (2R,3aS,7aS)-1-(3-chlorobenzoyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (2R,3aS,7aS)-1-(3-chlorobenzoyl)…

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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) 3.45 6.58 -18.7 1 4 0 49 320.82 2 ↓

Analogs

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Popular Name: (2R,3aR,7aS)-1-(3-chlorobenzoyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (2R,3aR,7aS)-1-(3-chlorobenzoyl)…

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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) 3.45 6.66 -19.73 1 4 0 49 320.82 2 ↓

Parameters Provided:

ring.id = 119788
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 = 119788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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