UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-cyclopropyl-2-thienyl)-N-methyl-methanamine 1-(4-cyclopropyl-2-thienyl)-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) 1.67 5.64 -37.67 2 1 1 17 168.285 3 ↓
Hi High (pH 8-9.5) 1.67 4.21 -2.03 1 1 0 12 167.277 3 ↓

Analogs

34974891
34974891

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Popular Name: 2-amino-4-cyclopropylthiophene-3-carbonitrile 2-amino-4-cyclopropylthiophene-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) 1.16 3.85 -7.07 2 2 0 50 164.233 1 ↓

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) 2.66 8.18 -8.25 1 4 0 55 315.822 7 ↓

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) 2.66 8.19 -8.18 1 4 0 55 315.822 7 ↓

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) 1.39 7.04 -48.52 3 5 1 72 311.427 9 ↓

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) 1.91 6.66 -44.72 3 5 1 72 311.427 7 ↓
Mid Mid (pH 6-8) 1.91 5.43 -7.94 2 5 0 67 310.419 7 ↓

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) 2.91 8.25 -8.34 1 4 0 55 360.273 7 ↓
Hi High (pH 8-9.5) 3.10 6.99 -39.51 0 4 -1 62 359.265 7 ↓

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) 2.91 8.25 -8.67 1 4 0 55 360.273 7 ↓
Hi High (pH 8-9.5) 3.10 6.55 -39.51 0 4 -1 62 359.265 7 ↓

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) 1.43 6.15 -44.56 3 5 1 72 297.4 7 ↓
Hi High (pH 8-9.5) 1.43 4.93 -9.56 2 5 0 67 296.392 7 ↓
Hi High (pH 8-9.5) 1.61 4.37 -36.95 2 5 0 78 296.392 7 ↓

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) 1.43 6.16 -44.67 3 5 1 72 297.4 7 ↓
Hi High (pH 8-9.5) 1.61 4.38 -37.39 2 5 0 78 296.392 7 ↓
Hi High (pH 8-9.5) 1.43 4.83 -8.55 2 5 0 67 296.392 7 ↓

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) 1.99 6.11 -8.43 1 3 0 38 225.313 5 ↓

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) 2.37 6.95 -8.02 1 3 0 38 239.34 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) 2.87 7.7 -7.72 1 3 0 38 253.367 7 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[(2S)-2-(diethylamino)propyl]thiophene-2-carboxamide 3-cyclopropyl-N-[(2S)-2-(diethyl…

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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) 2.42 7.92 -37.62 2 3 1 34 281.445 7 ↓
Hi High (pH 8-9.5) 2.42 5.79 -6.8 1 3 0 32 280.437 7 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[(2R)-2-(diethylamino)propyl]thiophene-2-carboxamide 3-cyclopropyl-N-[(2R)-2-(diethyl…

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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) 2.42 7.88 -38.08 2 3 1 34 281.445 7 ↓
Hi High (pH 8-9.5) 2.42 5.9 -6.45 1 3 0 32 280.437 7 ↓

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) 1.16 5.89 -51.5 4 5 1 83 311.427 9 ↓

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) 1.06 5.83 -53.6 4 5 1 83 311.427 8 ↓

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) 1.06 5.83 -54.26 4 5 1 83 311.427 8 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-(dimethylamino)-2-methyl-propyl]thiophene-2-carboxamide 3-cyclopropyl-N-[2-(dimethylamin…

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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 7.14 -39.26 2 3 1 34 267.418 5 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[2-(2-methylprop…

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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) 1.53 4.5 -11.57 2 4 0 58 280.393 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-prop-2-ynyl-thiophene-2-carboxamide 3-cyclopropyl-N-prop-2-ynyl-thio…

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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 5.17 -7.44 1 2 0 29 205.282 3 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-methyl-N-[2-(methylamino)-2-oxo-ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-methyl-N-[2-(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) 1.16 4.28 -16.06 1 4 0 49 252.339 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[(1R)-1-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) 1.62 4.78 -9.41 2 4 0 58 280.393 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[(1S)-1-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) 1.62 4.78 -9.37 2 4 0 58 280.393 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-(isopropylamino)-2-oxo-ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[2-(isopropylami…

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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) 1.59 3.98 -9.3 2 4 0 58 266.366 5 ↓

Analogs

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Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-3-cyclopropyl-thiophene-2-carboxamide N-[2-(tert-butylamino)-2-oxo-eth…

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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) 2.10 4.47 -8.77 2 4 0 58 280.393 5 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-(dimethylamino)-2-oxo-ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[2-(dimethylamin…

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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) 0.22 4.23 -9.69 1 4 0 49 252.339 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[2-oxo-2-(propyl…

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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) 1.79 3.93 -9.28 2 4 0 58 266.366 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-(isopropylamino)-2-oxo-ethyl]-N-methyl-thiophene-2-carboxamide 3-cyclopropyl-N-[2-(isopropylami…

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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 5.93 -15.47 1 4 0 49 280.393 5 ↓

Analogs

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Popular Name: 2-[N'-(3-cyclopropylthiophene-2-carbonyl)hydrazino]-N-isopropyl-2-oxo-acetamide 2-[N'-(3-cyclopropylthiophene-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) 0.17 2.64 -9.02 3 6 0 87 295.364 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) 1.40 6.23 -10.49 1 4 0 55 267.35 7 ↓

Analogs

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Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-3-cyclopropyl-N-methyl-thiophene-2-carboxamide N-[2-(tert-butylamino)-2-oxo-eth…

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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) 2.34 6.42 -14.67 1 4 0 49 294.42 5 ↓

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) 1.87 7.06 -13.05 1 4 0 55 281.377 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) 1.13 5.44 -13.38 1 4 0 55 253.323 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-(methylamino)-2-oxo-ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[2-(methylamino)…

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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) 0.91 2.32 -9.97 2 4 0 58 238.312 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[(1R)-2-(ethylam…

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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) 1.12 4.02 -9.58 2 4 0 58 266.366 5 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[(1S)-2-(ethylam…

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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) 1.12 4.02 -9.52 2 4 0 58 266.366 5 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[3-(isopropylamino)-3-oxo-propyl]thiophene-2-carboxamide 3-cyclopropyl-N-[3-(isopropylami…

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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) 1.36 4.6 -16.45 2 4 0 58 280.393 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-(dimethylamino)-2-ethyl-butyl]thiophene-2-carboxamide 3-cyclopropyl-N-[2-(dimethylamin…

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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) 3.15 9 -38.13 2 3 1 34 295.472 7 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[3-[methyl(methylsulfonyl)amino]propyl]thiophene-2-carboxamide 3-cyclopropyl-N-[3-[methyl(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) 0.98 3.48 -15.26 1 5 0 66 316.448 7 ↓

Analogs

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Popular Name: N-(4-amino-4-oxo-butyl)-3-cyclopropyl-thiophene-2-carboxamide N-(4-amino-4-oxo-butyl)-3-cyclop…

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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) 0.58 2.27 -12.56 3 4 0 72 252.339 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[3-(dimethylamino)-3-oxo-propyl]thiophene-2-carboxamide 3-cyclopropyl-N-[3-(dimethylamin…

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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) 0.49 4.93 -16.98 1 4 0 49 266.366 5 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-(2-methylsulfonylethyl)thiophene-2-carboxamide 3-cyclopropyl-N-(2-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) 0.71 2.21 -21.03 1 4 0 63 273.379 5 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[2-oxo-2-(2,2,2-…

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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) 1.84 3.62 -9.02 2 4 0 58 306.309 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) 1.54 5.71 -7.35 1 4 0 55 253.323 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[(1S)-1-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) 0.74 3.18 -10.05 2 4 0 58 252.339 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[(1R)-1-methyl-2-(methylamino)-2-oxo-ethyl]thiophene-2-carboxamide 3-cyclopropyl-N-[(1R)-1-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) 0.74 3.18 -10.08 2 4 0 58 252.339 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide 3-cyclopropyl-N-[3-oxo-3-(propyl…

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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) 1.56 4.56 -16.32 2 4 0 58 280.393 7 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-[2-(methylamino)-2-oxo-ethyl]-N-propyl-thiophene-2-carboxamide 3-cyclopropyl-N-[2-(methylamino)…

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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) 2.04 5.72 -16.28 1 4 0 49 280.393 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-N-(3-methylsulfonylpropyl)thiophene-2-carboxamide 3-cyclopropyl-N-(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) 0.98 2.99 -17.36 1 4 0 63 287.406 6 ↓

Parameters Provided:

ring.id = 25887
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 = 25887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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