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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-(aminomethyl)-N-[(3R)-1,1-diox…

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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 -1.36 -66.57 4 6 1 104 284.361 3 ↓
Mid Mid (pH 6-8) -1.06 -1.76 -16.63 3 6 0 102 283.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-(aminomethyl)-N-[(3S)-1,1-diox…

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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 -1.36 -66.04 4 6 1 104 284.361 3 ↓
Mid Mid (pH 6-8) -1.06 -1.76 -16.65 3 6 0 102 283.353 3 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]pyridine-3-carboxylic 2-[[(3R)-1,1-dioxothian-3-yl]car…

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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) -0.34 1.52 -66.66 1 7 -1 116 297.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]pyridine-3-carboxylic 2-[[(3S)-1,1-dioxothian-3-yl]car…

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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) -0.34 1.61 -66.71 1 7 -1 116 297.312 3 ↓

Analogs

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Popular Name: 3,6-dichloro-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 3,6-dichloro-N-[(3R)-1,1-dioxoth…

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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 1.56 -15.76 1 5 0 76 323.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,6-dichloro-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 3,6-dichloro-N-[(3S)-1,1-dioxoth…

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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 1.56 -15.75 1 5 0 76 323.201 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 6-chloro-N-[(3R)-1,1-dioxothian-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 1.06 -15.85 1 5 0 76 288.756 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 6-chloro-N-[(3S)-1,1-dioxothian-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 1.05 -15.83 1 5 0 76 288.756 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 4-chloro-N-[(3R)-1,1-dioxothian-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 1.13 -16.55 1 5 0 76 288.756 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 4-chloro-N-[(3S)-1,1-dioxothian-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 1.13 -16.57 1 5 0 76 288.756 2 ↓

Analogs

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Popular Name: 5-cyano-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-cyano-N-[(3R)-1,1-dioxothian-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) -0.49 1.03 -17.6 1 6 0 100 279.321 2 ↓

Analogs

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Popular Name: 5-cyano-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-cyano-N-[(3S)-1,1-dioxothian-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) -0.49 1.03 -17.59 1 6 0 100 279.321 2 ↓

Analogs

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Popular Name: 5-carbamothioyl-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-carbamothioyl-N-[(3R)-1,1-diox…

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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) -0.45 -0.15 -24.42 3 6 0 102 313.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-carbamothioyl-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-carbamothioyl-N-[(3S)-1,1-diox…

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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) -0.45 -0.14 -24.88 3 6 0 102 313.404 3 ↓

Analogs

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Popular Name: 5-bromo-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-bromo-N-[(3R)-1,1-dioxothian-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) 0.73 1.23 -14.8 1 5 0 76 333.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-bromo-N-[(3S)-1,1-dioxothian-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) 0.73 1.23 -14.77 1 5 0 76 333.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-3-hydroxy-pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-3-h…

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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) -0.13 0.65 -50.58 2 6 0 100 270.31 2 ↓
Hi High (pH 8-9.5) -0.13 0.17 -58.75 1 6 -1 99 269.302 2 ↓
Mid Mid (pH 6-8) -0.13 -0.82 -18.55 2 6 0 96 270.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-3-hydroxy-pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-3-h…

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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) -0.13 0.64 -50.61 2 6 0 100 270.31 2 ↓
Hi High (pH 8-9.5) -0.13 0.17 -58.79 1 6 -1 99 269.302 2 ↓
Mid Mid (pH 6-8) -0.13 -0.83 -19.06 2 6 0 96 270.31 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-5-[(E)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-5-[…

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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) -1.93 -2.69 -19.54 4 8 0 135 312.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-5-[(E)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-5-[…

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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) -1.93 -2.69 -19.73 4 8 0 135 312.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-2-methyl-pyridine-3-carboxylic 6-[[(3R)-1,1-dioxothian-3-yl]car…

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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) -0.29 1.81 -51.79 1 7 -1 116 311.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-2-methyl-pyridine-3-carboxylic 6-[[(3S)-1,1-dioxothian-3-yl]car…

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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) -0.29 1.81 -51.75 1 7 -1 116 311.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]pyridine-3-carboxylic 6-[[(3R)-1,1-dioxothian-3-yl]car…

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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) -0.67 1.19 -50.64 1 7 -1 116 297.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]pyridine-3-carboxylic 6-[[(3S)-1,1-dioxothian-3-yl]car…

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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) -0.67 1.19 -50.58 1 7 -1 116 297.312 3 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-5-(…

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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) -0.68 -0.56 -18.68 2 6 0 96 308.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-5-(…

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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) -0.68 -0.56 -18.64 2 6 0 96 308.359 2 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(3R)-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) -1.24 0.15 -64.72 4 6 1 104 308.383 2 ↓
Mid Mid (pH 6-8) -1.24 -0.26 -16.63 3 6 0 102 307.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(3S)-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) -1.24 0.15 -64.72 4 6 1 104 308.383 2 ↓
Mid Mid (pH 6-8) -1.24 -0.26 -16.66 3 6 0 102 307.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 4-amino-N-[(3R)-1,1-dioxothian-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) -0.83 -1.01 -48.77 4 6 1 103 270.334 2 ↓
Mid Mid (pH 6-8) -0.83 -1.49 -17.32 3 6 0 102 269.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 4-amino-N-[(3S)-1,1-dioxothian-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) -0.83 -1 -48.79 4 6 1 103 270.334 2 ↓
Mid Mid (pH 6-8) -0.83 -1.49 -17.33 3 6 0 102 269.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-(methylamino)pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-6-(…

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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) -0.05 0.29 -16.97 2 6 0 88 283.353 3 ↓
Lo Low (pH 4.5-6) -0.05 0.78 -45.25 3 6 1 89 284.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-(methylamino)pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-6-(…

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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) -0.05 0.29 -16.93 2 6 0 88 283.353 3 ↓
Lo Low (pH 4.5-6) -0.05 0.78 -45.28 3 6 1 89 284.361 3 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-(ethylamino)pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-6-(…

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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 1.09 -16.41 2 6 0 88 297.38 4 ↓
Lo Low (pH 4.5-6) 0.33 1.58 -44.8 3 6 1 89 298.388 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-(ethylamino)pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-6-(…

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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 1.09 -16.46 2 6 0 88 297.38 4 ↓
Lo Low (pH 4.5-6) 0.33 1.58 -44.8 3 6 1 89 298.388 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-6-(propylamino)pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-6-(…

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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 1.86 -16.15 2 6 0 88 311.407 5 ↓
Lo Low (pH 4.5-6) 0.83 2.33 -45.12 3 6 1 89 312.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-6-(propylamino)pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-6-(…

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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 1.86 -16.22 2 6 0 88 311.407 5 ↓
Lo Low (pH 4.5-6) 0.83 2.34 -45.13 3 6 1 89 312.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(3R)-1,1-dioxothian-3-yl]-6-(ethylamino)pyridine-2-carboxamide 3-chloro-N-[(3R)-1,1-dioxothian-…

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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 1.6 -16.88 2 6 0 88 331.825 4 ↓

Analogs

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Popular Name: 3-chloro-N-[(3S)-1,1-dioxothian-3-yl]-6-(ethylamino)pyridine-2-carboxamide 3-chloro-N-[(3S)-1,1-dioxothian-…

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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 1.61 -16.93 2 6 0 88 331.825 4 ↓

Analogs

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Popular Name: 6-amino-3-chloro-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 6-amino-3-chloro-N-[(3R)-1,1-dio…

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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) 0.59 -0.1 -17.89 3 6 0 102 303.771 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-3-chloro-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 6-amino-3-chloro-N-[(3S)-1,1-dio…

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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) 0.59 -0.11 -17.95 3 6 0 102 303.771 2 ↓

Analogs

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Popular Name: 3-chloro-N-[(3R)-1,1-dioxothian-3-yl]-6-(methylamino)pyridine-2-carboxamide 3-chloro-N-[(3R)-1,1-dioxothian-…

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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) 0.97 0.81 -17.46 2 6 0 88 317.798 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(3S)-1,1-dioxothian-3-yl]-6-(methylamino)pyridine-2-carboxamide 3-chloro-N-[(3S)-1,1-dioxothian-…

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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) 0.97 0.81 -17.48 2 6 0 88 317.798 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(3R)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 6-amino-N-[(3R)-1,1-dioxothian-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) -0.43 -0.63 -17.2 3 6 0 102 269.326 2 ↓
Lo Low (pH 4.5-6) -0.43 -0.14 -47.35 4 6 1 103 270.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(3S)-1,1-dioxothian-3-yl]pyridine-2-carboxamide 6-amino-N-[(3S)-1,1-dioxothian-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) -0.43 -0.62 -17.17 3 6 0 102 269.326 2 ↓
Lo Low (pH 4.5-6) -0.43 -0.13 -47.36 4 6 1 103 270.334 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-4-(methylamino)pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-4-(…

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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) -0.05 -0.08 -47.86 3 6 1 89 284.361 3 ↓
Hi High (pH 8-9.5) -0.05 -0.56 -17.13 2 6 0 88 283.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-4-(methylamino)pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-4-(…

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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) -0.05 -0.08 -47.83 3 6 1 89 284.361 3 ↓
Hi High (pH 8-9.5) -0.05 -0.56 -17.12 2 6 0 88 283.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-4-(propylamino)pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-4-(…

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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) 0.82 1.5 -47.97 3 6 1 89 312.415 5 ↓
Hi High (pH 8-9.5) 0.82 1.01 -16.49 2 6 0 88 311.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-4-(propylamino)pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-4-(…

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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) 0.82 1.5 -47.98 3 6 1 89 312.415 5 ↓
Hi High (pH 8-9.5) 0.82 1.02 -16.49 2 6 0 88 311.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-4-(ethylamino)pyridine-2-carboxamide N-[(3R)-1,1-dioxothian-3-yl]-4-(…

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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) 0.32 0.74 -47.89 3 6 1 89 298.388 4 ↓
Hi High (pH 8-9.5) 0.32 0.26 -16.76 2 6 0 88 297.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-4-(ethylamino)pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-4-(…

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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) 0.32 0.73 -47.88 3 6 1 89 298.388 4 ↓
Hi High (pH 8-9.5) 0.32 0.25 -16.78 2 6 0 88 297.38 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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