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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)cyclopentanamine (1S,2R)-2-(benzenesulfonyl)cyclo…

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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) 0.56 2.83 -41.21 3 3 1 62 226.321 2 ↓
Hi High (pH 8-9.5) 0.56 2.47 -10.14 2 3 0 60 225.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)cyclopentanamine (1S,2S)-2-(benzenesulfonyl)cyclo…

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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) 0.56 2.03 -52.72 3 3 1 62 226.321 2 ↓
Hi High (pH 8-9.5) 0.56 1.91 -9.02 2 3 0 60 225.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)cyclopentanamine (1R,2R)-2-(benzenesulfonyl)cyclo…

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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) 0.56 2.12 -52.07 3 3 1 62 226.321 2 ↓
Hi High (pH 8-9.5) 0.56 1.82 -10.49 2 3 0 60 225.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)cyclopentanamine (1R,2S)-2-(benzenesulfonyl)cyclo…

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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) 0.56 2.9 -41.22 3 3 1 62 226.321 2 ↓
Hi High (pH 8-9.5) 0.56 2.53 -10.11 2 3 0 60 225.313 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-methyl-cyclopentanamine (1R,2S)-2-(benzenesulfonyl)-N-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) 1.47 4.85 -36.81 2 3 1 51 240.348 3 ↓
Hi High (pH 8-9.5) 1.47 3.52 -10.09 1 3 0 46 239.34 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-methyl-cyclopentanamine (1S,2S)-2-(benzenesulfonyl)-N-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) 1.47 3.95 -46.56 2 3 1 51 240.348 3 ↓
Hi High (pH 8-9.5) 1.47 2.73 -10.17 1 3 0 46 239.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-methyl-cyclopentanamine (1R,2R)-2-(benzenesulfonyl)-N-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) 1.47 3.94 -44.57 2 3 1 51 240.348 3 ↓
Hi High (pH 8-9.5) 1.47 2.71 -9.17 1 3 0 46 239.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-methyl-cyclopentanamine (1S,2R)-2-(benzenesulfonyl)-N-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) 1.47 4.78 -36.85 2 3 1 51 240.348 3 ↓
Hi High (pH 8-9.5) 1.47 3.73 -9.99 1 3 0 46 239.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-ethyl-cyclopentanamine (1R,2S)-2-(benzenesulfonyl)-N-et…

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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) 1.85 5.68 -36.08 2 3 1 51 254.375 4 ↓
Hi High (pH 8-9.5) 1.85 4.43 -10.17 1 3 0 46 253.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-ethyl-cyclopentanamine (1S,2S)-2-(benzenesulfonyl)-N-et…

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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) 1.85 4.79 -44.73 2 3 1 51 254.375 4 ↓
Hi High (pH 8-9.5) 1.85 3.65 -10.02 1 3 0 46 253.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-ethyl-cyclopentanamine (1R,2R)-2-(benzenesulfonyl)-N-et…

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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) 1.85 4.77 -42.99 2 3 1 51 254.375 4 ↓
Hi High (pH 8-9.5) 1.85 3.65 -9 1 3 0 46 253.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-ethyl-cyclopentanamine (1S,2R)-2-(benzenesulfonyl)-N-et…

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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) 1.85 5.63 -36.12 2 3 1 51 254.375 4 ↓
Hi High (pH 8-9.5) 1.85 4.62 -10.01 1 3 0 46 253.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)-N-propyl-cyclopentanamine (1R,2S)-2-(benzenesulfonyl)-N-pr…

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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) 2.35 6.44 -36.34 2 3 1 51 268.402 5 ↓
Hi High (pH 8-9.5) 2.35 5.19 -10.06 1 3 0 46 267.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)-N-propyl-cyclopentanamine (1S,2S)-2-(benzenesulfonyl)-N-pr…

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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) 2.35 5.54 -45.63 2 3 1 51 268.402 5 ↓
Hi High (pH 8-9.5) 2.35 4.41 -9.95 1 3 0 46 267.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)-N-propyl-cyclopentanamine (1R,2R)-2-(benzenesulfonyl)-N-pr…

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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) 2.35 5.54 -43.74 2 3 1 51 268.402 5 ↓
Hi High (pH 8-9.5) 2.35 4.41 -8.94 1 3 0 46 267.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(benzenesulfonyl)-N-propyl-cyclopentanamine (1S,2R)-2-(benzenesulfonyl)-N-pr…

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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) 2.35 6.39 -36.39 2 3 1 51 268.402 5 ↓
Hi High (pH 8-9.5) 2.35 5.39 -9.97 1 3 0 46 267.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(benzenesulfonyl)cyclopentanol (1S,2S)-2-(benzenesulfonyl)cyclo…

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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) 1.06 1.59 -11.29 1 3 0 54 226.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(benzenesulfonyl)cyclopentanol (1R,2R)-2-(benzenesulfonyl)cyclo…

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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) 1.06 1.49 -10.74 1 3 0 54 226.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(benzenesulfonyl)cyclopentanol (1R,2S)-2-(benzenesulfonyl)cyclo…

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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) 1.06 2.59 -12.84 1 3 0 54 226.297 2 ↓

Analogs

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Popular Name: 1-bromo-3-cyclopentylsulfonyl-benzene 1-bromo-3-cyclopentylsulfonyl-be…

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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 5.56 -8.98 0 2 0 34 289.194 2 ↓

Analogs

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Popular Name: 1-Bromo-4-(cyclopentylsulfonyl)benzene 1-Bromo-4-(cyclopentylsulfonyl)b…

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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 5.48 -8.46 0 2 0 34 289.194 2 ↓

Analogs

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Popular Name: 3-cyclopentylsulfonylbenzoic 3-cyclopentylsulfonylbenzoic

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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) 2.09 5.49 -53.81 0 4 -1 74 253.299 3 ↓

Analogs

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Popular Name: 1-(benzenesulfonyl)-N-methoxy-cyclopentanecarboxamide 1-(benzenesulfonyl)-N-methoxy-cy…

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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) 1.34 4.2 -11.41 1 5 0 72 283.349 4 ↓
Mid Mid (pH 6-8) 1.53 2.13 -46.9 0 5 -1 79 282.341 4 ↓
Mid Mid (pH 6-8) 1.53 3.07 -55.11 0 5 -1 79 282.341 4 ↓

Analogs

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Popular Name: N'-(4-cyclopentylsulfonylphenyl)-N-(5-methoxypentyl)oxamide N'-(4-cyclopentylsulfonylphenyl)…

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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) 1.52 3.62 -13.63 2 7 0 102 396.509 10 ↓
Hi High (pH 8-9.5) 1.71 2.82 -48.6 1 7 -1 108 395.501 10 ↓

Analogs

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Popular Name: N'-(3-cyclopentylsulfonylphenyl)-N-(5-methoxypentyl)oxamide N'-(3-cyclopentylsulfonylphenyl)…

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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) 1.50 3.62 -15.26 2 7 0 102 396.509 10 ↓
Hi High (pH 8-9.5) 1.68 2.82 -49.39 1 7 -1 108 395.501 10 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-1-(2,5-dimethylphenyl)sulfonyl-cyclopentanecarboxamide N-[3-(dimethylamino)-2,2-dimethy…

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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) 3.84 7.71 -55.28 2 5 1 68 395.589 7 ↓

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)sulfonyl-N-methyl-cyclopentanecarboxamide 1-(3,4-dimethylphenyl)sulfonyl-N…

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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) 2.21 4.49 -9.56 1 4 0 63 295.404 3 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 2.77 7.38 -14.59 1 6 0 90 395.521 8 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)sulfonyl-N-prop-2-ynyl-cyclopentanecarboxamide 1-(4-chlorophenyl)sulfonyl-N-pro…

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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) 2.22 5.13 -8.51 1 4 0 63 325.817 4 ↓

Analogs

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Popular Name: 3-cyclopentylsulfonyl-4-ethyl-benzoic 3-cyclopentylsulfonyl-4-ethyl-be…

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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 6.67 -58.12 0 4 -1 74 281.353 4 ↓

Analogs

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Popular Name: 5-cyclopentylsulfonyl-2,3-dimethoxy-benzoic 5-cyclopentylsulfonyl-2,3-dimeth…

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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 5.22 -55.63 0 6 -1 93 313.351 5 ↓

Analogs

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Popular Name: 5-cyclopentylsulfonyl-2,4-dimethyl-benzoic 5-cyclopentylsulfonyl-2,4-dimeth…

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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 6.67 -59.42 0 4 -1 74 281.353 3 ↓

Analogs

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Popular Name: 5-bromo-3-cyclopentylsulfonyl-2-fluoro-benzoic 5-bromo-3-cyclopentylsulfonyl-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) 3.05 5.83 -47.41 0 4 -1 74 350.185 3 ↓

Analogs

43453775
43453775

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Popular Name: 2-bromo-5-cyclopentylsulfonyl-benzoic 2-bromo-5-cyclopentylsulfonyl-be…

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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 5.91 -50.89 0 4 -1 74 332.195 3 ↓

Analogs

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Popular Name: 5-chloro-3-cyclopentylsulfonyl-2-fluoro-benzoic 5-chloro-3-cyclopentylsulfonyl-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) 2.92 5.73 -47.4 0 4 -1 74 305.734 3 ↓

Analogs

36765539
36765539
37115548
37115548
37116841
37116841
34961594
34961594

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Popular Name: 3-(cyclopentanesulfonyl)-4-methoxybenzoic acid 3-(cyclopentanesulfonyl)-4-metho…

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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 5.42 -57.54 0 5 -1 84 283.325 4 ↓

Analogs

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Popular Name: 3-cyclopentylsulfonyl-4,5-dimethyl-benzoic 3-cyclopentylsulfonyl-4,5-dimeth…

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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) 3.31 6.62 -60.2 0 4 -1 74 281.353 3 ↓

Analogs

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Popular Name: 5-cyclopentylsulfonyl-2-methyl-benzoic 5-cyclopentylsulfonyl-2-methyl-b…

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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) 2.15 6.07 -55.31 0 4 -1 74 267.326 3 ↓

Analogs

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Popular Name: 2,6-dichloro-3-cyclopentylsulfonyl-benzoic 2,6-dichloro-3-cyclopentylsulfon…

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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) 3.43 6.17 -47.08 0 4 -1 74 322.189 3 ↓

Analogs

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Popular Name: 5-(cyclopentanesulfonyl)-2-fluorobenzoic acid 5-(cyclopentanesulfonyl)-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) 1.87 5.44 -55.12 0 4 -1 74 271.289 3 ↓

Analogs

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Popular Name: 3-(cyclopentanesulfonyl)-2,6-difluorobenzoic acid 3-(cyclopentanesulfonyl)-2,6-dif…

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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) 2.40 5.26 -54.49 0 4 -1 74 289.279 3 ↓

Analogs

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Popular Name: 4-chloro-3-cyclopentylsulfonyl-benzoic 4-chloro-3-cyclopentylsulfonyl-b…

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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) 3.16 5.9 -49.79 0 4 -1 74 287.744 3 ↓

Analogs

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Popular Name: 2-chloro-5-cyclopentylsulfonyl-benzoic 2-chloro-5-cyclopentylsulfonyl-b…

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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 5.81 -51.75 0 4 -1 74 287.744 3 ↓

Analogs

43453788
43453788

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Popular Name: 4-bromo-3-cyclopentylsulfonyl-benzoic 4-bromo-3-cyclopentylsulfonyl-be…

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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) 3.29 6.01 -49.55 0 4 -1 74 332.195 3 ↓

Analogs

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Popular Name: N-[2-(dimethylamino)-2-methyl-propyl]-1-(2,5-dimethylphenyl)sulfonyl-cyclopentanecarboxamide N-[2-(dimethylamino)-2-methyl-pr…

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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) 3.49 7.69 -53.68 2 5 1 68 381.562 6 ↓
Hi High (pH 8-9.5) 3.67 6.45 -44.57 1 5 0 74 380.554 6 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)sulfonyl-N,N-dimethyl-cyclopentanecarboxamide 1-(4-chlorophenyl)sulfonyl-N,N-d…

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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) 1.86 4.66 -13.04 0 4 0 54 315.822 3 ↓

Parameters Provided:

ring.id = 7705
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 = 7705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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