UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44618479
44618479
44618483
44618483

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Popular Name: (2R)-1-[(2,5-dibromo-3-thienyl)sulfonyl]pyrrolidine-2-carboxylic (2R)-1-[(2,5-dibromo-3-thienyl)s…

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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) 0.88 4.78 -53.64 0 5 -1 78 418.108 3 ↓

Analogs

44618479
44618479
44618483
44618483

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Popular Name: (2S)-1-[(2,5-dibromo-3-thienyl)sulfonyl]pyrrolidine-2-carboxylic (2S)-1-[(2,5-dibromo-3-thienyl)s…

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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) 0.88 5.2 -54.54 0 5 -1 78 418.108 3 ↓

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[(2-methoxycarbonyl-3-thienyl)sulfonyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[(2-methoxyc…

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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) -1.83 1.38 -77.54 1 8 -1 124 334.351 5 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[(2-methoxycarbonyl-3-thienyl)sulfonyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[(2-methoxyc…

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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) -1.83 1.58 -74.21 1 8 -1 124 334.351 5 ↓

Analogs

37836811
37836811
37837905
37837905

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Popular Name: 5-bromo-4-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxylic 5-bromo-4-pyrrolidin-1-ylsulfony…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 3.71 -47.42 0 5 -1 78 339.212 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) 3.27 6.66 -12.43 0 5 0 64 345.486 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) 3.27 6.25 -12.68 0 5 0 64 345.486 6 ↓

Analogs

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Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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) 2.24 4.8 -11.68 0 5 0 64 343.348 6 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dichloro-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 4.52 -43.35 0 5 -1 78 343.233 3 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dichloro-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 4.55 -44.32 0 5 -1 78 343.233 3 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dimethyl-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 4.97 -45.01 0 5 -1 78 302.397 3 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dimethyl-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 4.94 -46.57 0 5 -1 78 302.397 3 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dibromo-3-thienyl)s…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 4.78 -42.44 0 5 -1 78 432.135 3 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dibromo-3-thienyl)s…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 4.73 -44.12 0 5 -1 78 432.135 3 ↓

Analogs

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Popular Name: (3S)-1-[(2-methoxycarbonyl-3-thienyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2-methoxycarbonyl-3-thi…

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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) 0.90 4.87 -53.6 0 7 -1 104 332.379 5 ↓

Analogs

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Popular Name: (3R)-1-[(2-methoxycarbonyl-3-thienyl)sulfonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2-methoxycarbonyl-3-thi…

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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) 0.90 4.71 -58 0 7 -1 104 332.379 5 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dichloro-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 5 -42.46 0 5 -1 78 357.26 4 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dichloro-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 5.1 -48.09 0 5 -1 78 357.26 4 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dimethyl-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 5.45 -47.67 0 5 -1 78 316.424 4 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dimethyl-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 5.54 -53.06 0 5 -1 78 316.424 4 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dibromo-3-thienyl)s…

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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) 3.03 5.26 -41.53 0 5 -1 78 446.162 4 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dibromo-3-thienyl)s…

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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) 3.03 5.36 -47.75 0 5 -1 78 446.162 4 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dichloro-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 5.77 -42.81 0 5 -1 78 371.287 5 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dichloro-3-thienyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dichloro-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 5.86 -48.37 0 5 -1 78 371.287 5 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dimethyl-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 6.22 -47.95 0 5 -1 78 330.451 5 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dimethyl-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 6.31 -53.4 0 5 -1 78 330.451 5 ↓

Analogs

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Popular Name: (3S)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2,5-dibromo-3-thienyl)s…

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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) 3.59 6.03 -41.8 0 5 -1 78 460.189 5 ↓

Analogs

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Popular Name: (3R)-1-[(2,5-dibromo-3-thienyl)sulfonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2,5-dibromo-3-thienyl)s…

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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) 3.59 6.12 -48.13 0 5 -1 78 460.189 5 ↓

Analogs

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Popular Name: 5-bromo-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-thiophene-2-carboxylic 5-bromo-4-[(3R)-3-(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) 1.73 4.89 -70.12 1 6 0 82 383.289 4 ↓
Hi High (pH 8-9.5) 1.73 2.49 -46.62 0 6 -1 81 382.281 4 ↓

Analogs

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Popular Name: 5-bromo-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-thiophene-2-carboxylic 5-bromo-4-[(3S)-3-(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) 1.73 4.89 -73.77 1 6 0 82 383.289 4 ↓
Hi High (pH 8-9.5) 1.73 2.49 -46.42 0 6 -1 81 382.281 4 ↓

Analogs

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Popular Name: 3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic 3-[(3R)-3-(dimethylamino)pyrroli…

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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) 0.80 5.04 -89.5 1 6 0 82 304.393 4 ↓
Hi High (pH 8-9.5) 0.80 2.62 -60.04 0 6 -1 81 303.385 4 ↓

Analogs

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Popular Name: 3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic 3-[(3S)-3-(dimethylamino)pyrroli…

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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) 0.80 5.05 -90.37 1 6 0 82 304.393 4 ↓
Hi High (pH 8-9.5) 0.80 2.66 -59.71 0 6 -1 81 303.385 4 ↓

Analogs

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Popular Name: 3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic 3-[(3R)-3-(diethylamino)pyrrolid…

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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) 1.55 6.14 -85.99 1 6 0 82 332.447 6 ↓
Hi High (pH 8-9.5) 1.55 4.04 -59.85 0 6 -1 81 331.439 6 ↓

Analogs

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Popular Name: 3-[(3S)-3-(diethylamino)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic 3-[(3S)-3-(diethylamino)pyrrolid…

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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) 1.55 6.05 -87.37 1 6 0 82 332.447 6 ↓
Hi High (pH 8-9.5) 1.55 3.99 -59.56 0 6 -1 81 331.439 6 ↓

Analogs

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Popular Name: (2R)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(2,5-dimethyl-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.78 3.43 -21.36 1 5 0 66 302.421 3 ↓

Analogs

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Popular Name: (2S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(2,5-dimethyl-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.78 3.16 -19.73 1 5 0 66 302.421 3 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide N-(2-bromoallyl)-3-pyrrolidin-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) 1.78 3.61 -13.16 1 5 0 66 379.301 5 ↓

Analogs

37837251
37837251
37837375
37837375
37838941
37838941
37838942
37838942

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Popular Name: 3-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylic 3-[(2R)-2-carbamoylpyrrolidin-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) 0.33 1.55 -78.06 2 7 -1 121 303.341 4 ↓

Analogs

37837251
37837251
37837375
37837375
37838941
37838941
37838942
37838942

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Popular Name: 3-[(2S)-2-carbamoylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylic 3-[(2S)-2-carbamoylpyrrolidin-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) 0.33 1.19 -56.76 2 7 -1 121 303.341 4 ↓

Analogs

35149759
35149759
35149758
35149758
37326357
37326357
37326358
37326358
35053716
35053716

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Popular Name: 3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic 3-[(2S)-2-(methylcarbamoyl)pyrro…

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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) 0.15 2.56 -57.1 1 7 -1 107 317.368 4 ↓

Analogs

35149759
35149759
35149758
35149758
37326357
37326357
37326358
37326358
35053716
35053716

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic 3-[(2R)-2-(methylcarbamoyl)pyrro…

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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) 0.15 3.06 -60.19 1 7 -1 107 317.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide N-ethyl-3-pyrrolidin-1-ylsulfony…

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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) 1.05 2.45 -14.33 1 5 0 66 288.394 4 ↓

Analogs

42434493
42434493

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Popular Name: [(2R)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]pyrrolidin-2-yl]methanol [(2R)-1-[(2,5-dimethyl-3-thienyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 1.66 -11.47 1 4 0 58 275.395 3 ↓

Analogs

42434492
42434492

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]pyrrolidin-2-yl]methanol [(2S)-1-[(2,5-dimethyl-3-thienyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 1.74 -10.86 1 4 0 58 275.395 3 ↓

Analogs

42434495
42434495

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Popular Name: [(2R)-1-[(2,5-dibromo-3-thienyl)sulfonyl]pyrrolidin-2-yl]methanol [(2R)-1-[(2,5-dibromo-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 1.38 -7.29 1 4 0 58 405.133 3 ↓

Analogs

42434494
42434494

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[(2,5-dibromo-3-thienyl)sulfonyl]pyrrolidin-2-yl]methanol [(2S)-1-[(2,5-dibromo-3-thienyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 1.47 -7.27 1 4 0 58 405.133 3 ↓

Parameters Provided:

ring.id = 124464
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 = 124464 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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