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Analogs

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Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chlorothiadiazol-4-yl…

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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) 1.37 5.47 -45.6 1 5 0 70 261.734 3 ↓
Hi High (pH 8-9.5) 1.37 2.91 -45.3 0 5 -1 69 260.726 3 ↓

Analogs

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Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chlorothiadiazol-4-yl…

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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) 1.37 5.43 -43.45 1 5 0 70 261.734 3 ↓
Hi High (pH 8-9.5) 1.37 2.96 -45.49 0 5 -1 69 260.726 3 ↓

Analogs

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Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chlorothiadiazol-4-yl…

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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) 1.70 6.02 -43.94 1 5 0 70 275.761 4 ↓
Hi High (pH 8-9.5) 1.70 3.52 -45.53 0 5 -1 69 274.753 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chlorothiadiazol-4-yl…

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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) 1.70 5.93 -42.27 1 5 0 70 275.761 4 ↓
Hi High (pH 8-9.5) 1.70 3.45 -44.49 0 5 -1 69 274.753 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-chlorothiadiazol-4-yl…

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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) 2.26 6.48 -43.02 1 5 0 70 289.788 5 ↓
Hi High (pH 8-9.5) 2.26 3.95 -50.62 0 5 -1 69 288.78 5 ↓

Analogs

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Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-chlorothiadiazol-4-yl…

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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) 2.26 6.43 -42.34 1 5 0 70 289.788 5 ↓
Hi High (pH 8-9.5) 2.26 3.9 -43.15 0 5 -1 69 288.78 5 ↓

Analogs

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Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(5-chlorothiadiazol-4-yl…

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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 2.89 -37.9 1 4 1 33 247.775 3 ↓
Hi High (pH 8-9.5) 1.52 0.48 -3.94 0 4 0 32 246.767 3 ↓

Analogs

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Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(5-chlorothiadiazol-4-yl…

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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 3.09 -37.13 1 4 1 33 247.775 3 ↓
Hi High (pH 8-9.5) 1.52 0.7 -3.37 0 4 0 32 246.767 3 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]thiadiazol-5-amine 4-[[(3R)-3-(dimethylamino)pyrrol…

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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 0.48 -41.69 3 5 1 59 228.345 3 ↓
Hi High (pH 8-9.5) 0.33 -1.93 -7.32 2 5 0 58 227.337 3 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]thiadiazol-5-amine 4-[[(3S)-3-(dimethylamino)pyrrol…

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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 0.49 -41.97 3 5 1 59 228.345 3 ↓
Hi High (pH 8-9.5) 0.33 -1.9 -7.64 2 5 0 58 227.337 3 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-methyl-thiadiazol-5-amine 4-[[(3S)-3-(dimethylamino)pyrrol…

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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) 0.70 1.53 -44 2 5 1 45 242.372 4 ↓
Hi High (pH 8-9.5) 0.70 -0.87 -7.99 1 5 0 44 241.364 4 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-methyl-thiadiazol-5-amine 4-[[(3R)-3-(dimethylamino)pyrrol…

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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) 0.70 1.54 -41.94 2 5 1 45 242.372 4 ↓
Hi High (pH 8-9.5) 0.70 -0.84 -7.62 1 5 0 44 241.364 4 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-thiadiazol-5-amine 4-[[(3S)-3-(dimethylamino)pyrrol…

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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) 1.08 2.35 -43.16 2 5 1 45 256.399 5 ↓
Hi High (pH 8-9.5) 1.08 -0.05 -7.13 1 5 0 44 255.391 5 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-thiadiazol-5-amine 4-[[(3R)-3-(dimethylamino)pyrrol…

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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) 1.08 2.37 -41.13 2 5 1 45 256.399 5 ↓
Hi High (pH 8-9.5) 1.08 -0.01 -6.8 1 5 0 44 255.391 5 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-propyl-thiadiazol-5-amine 4-[[(3S)-3-(dimethylamino)pyrrol…

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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) 1.58 3.11 -43.16 2 5 1 45 270.426 6 ↓
Hi High (pH 8-9.5) 1.58 0.71 -6.84 1 5 0 44 269.418 6 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-propyl-thiadiazol-5-amine 4-[[(3R)-3-(dimethylamino)pyrrol…

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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) 1.58 3.12 -41.09 2 5 1 45 270.426 6 ↓
Hi High (pH 8-9.5) 1.58 0.74 -6.54 1 5 0 44 269.418 6 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]thiadiazol-5-amine 4-[[(3R)-3-(diethylamino)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) 1.08 1.53 -39.49 3 5 1 59 256.399 5 ↓
Hi High (pH 8-9.5) 1.08 -0.6 -6.7 2 5 0 58 255.391 5 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]thiadiazol-5-amine 4-[[(3S)-3-(diethylamino)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) 1.08 1.54 -39.77 3 5 1 59 256.399 5 ↓
Hi High (pH 8-9.5) 1.08 -0.64 -7.26 2 5 0 58 255.391 5 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-methyl-thiadiazol-5-amine 4-[[(3R)-3-(diethylamino)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) 1.46 2.71 -39.78 2 5 1 45 270.426 6 ↓
Hi High (pH 8-9.5) 1.46 0.58 -7.03 1 5 0 44 269.418 6 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-methyl-thiadiazol-5-amine 4-[[(3S)-3-(diethylamino)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) 1.46 2.78 -40.89 2 5 1 45 270.426 6 ↓
Hi High (pH 8-9.5) 1.46 0.69 -8 1 5 0 44 269.418 6 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-thiadiazol-5-amine 4-[[(3S)-3-(diethylamino)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) 1.83 3.37 -41.11 2 5 1 45 284.453 7 ↓
Hi High (pH 8-9.5) 1.83 1.3 -6.74 1 5 0 44 283.445 7 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-thiadiazol-5-amine 4-[[(3R)-3-(diethylamino)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) 1.83 3.59 -40.12 2 5 1 45 284.453 7 ↓
Hi High (pH 8-9.5) 1.83 1.53 -7.2 1 5 0 44 283.445 7 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propyl-thiadiazol-5-amine 4-[[(3S)-3-(diethylamino)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) 2.33 4.17 -41.2 2 5 1 45 298.48 8 ↓
Hi High (pH 8-9.5) 2.33 2.05 -6.45 1 5 0 44 297.472 8 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propyl-thiadiazol-5-amine 4-[[(3R)-3-(diethylamino)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) 2.33 4.17 -39.01 2 5 1 45 298.48 8 ↓
Hi High (pH 8-9.5) 2.33 2.12 -5.96 1 5 0 44 297.472 8 ↓

Analogs

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Popular Name: (3R)-1-[(5-hydrazinothiadiazol-4-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(5-hydrazinothiadiazol-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) 0.09 0.37 -42.94 4 6 1 72 243.36 4 ↓
Hi High (pH 8-9.5) 0.09 -2.01 -7.68 3 6 0 70 242.352 4 ↓
Lo Low (pH 4.5-6) 0.09 0.2 -104.73 5 6 2 73 244.368 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-hydrazinothiadiazol-4-yl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(5-hydrazinothiadiazol-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) 0.09 0.28 -42.53 4 6 1 72 243.36 4 ↓
Hi High (pH 8-9.5) 0.09 -2.11 -8.12 3 6 0 70 242.352 4 ↓
Lo Low (pH 4.5-6) 0.09 0.11 -104 5 6 2 73 244.368 4 ↓

Analogs

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Popular Name: (3R)-N,N-diethyl-1-[(5-hydrazinothiadiazol-4-yl)methyl]pyrrolidin-3-amine (3R)-N,N-diethyl-1-[(5-hydrazino…

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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) 0.84 1.48 -40.7 4 6 1 72 271.414 6 ↓
Hi High (pH 8-9.5) 0.84 -0.59 -7.06 3 6 0 70 270.406 6 ↓
Lo Low (pH 4.5-6) 0.84 1.32 -103.31 5 6 2 73 272.422 6 ↓

Analogs

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Popular Name: (3S)-N,N-diethyl-1-[(5-hydrazinothiadiazol-4-yl)methyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[(5-hydrazino…

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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) 0.84 1.37 -41.62 4 6 1 72 271.414 6 ↓
Hi High (pH 8-9.5) 0.84 -0.79 -8.84 3 6 0 70 270.406 6 ↓
Lo Low (pH 4.5-6) 0.84 1.18 -107.13 5 6 2 73 272.422 6 ↓

Analogs

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Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[(5-chlorothiadiazol-4-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 3.92 -35.87 1 4 1 33 275.829 5 ↓
Hi High (pH 8-9.5) 2.28 1.92 -3.57 0 4 0 32 274.821 5 ↓

Analogs

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Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(5-chlorothiadiazol-4-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 4.07 -34.87 1 4 1 33 275.829 5 ↓
Hi High (pH 8-9.5) 2.28 1.95 -2.99 0 4 0 32 274.821 5 ↓

Analogs

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Popular Name: (1S)-1-[(2R)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoro-ethanol (1S)-1-[(2R)-1-[(5-chlorothiadia…

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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 3.31 -26.88 1 4 0 53 301.721 4 ↓
Hi High (pH 8-9.5) 2.04 0.6 -5.89 1 4 0 49 301.721 4 ↓
Mid Mid (pH 6-8) 2.04 2.81 -36.44 2 4 1 50 302.729 4 ↓

Analogs

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Popular Name: (1S)-1-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoro-ethanol (1S)-1-[(2S)-1-[(5-chlorothiadia…

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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 3.56 -23.74 1 4 0 53 301.721 4 ↓
Hi High (pH 8-9.5) 2.04 0.9 -4.67 1 4 0 49 301.721 4 ↓
Mid Mid (pH 6-8) 2.04 3.19 -35.38 2 4 1 50 302.729 4 ↓

Analogs

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Popular Name: (2R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2R)-1-[(5-chlorothiadiazol-4-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 3.81 -37.64 2 5 1 59 329.755 5 ↓
Hi High (pH 8-9.5) 1.98 1.48 -29.48 1 5 0 66 328.747 5 ↓

Analogs

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Popular Name: (2S)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2S)-1-[(5-chlorothiadiazol-4-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 4.11 -34.91 2 5 1 59 329.755 5 ↓
Hi High (pH 8-9.5) 1.98 1.79 -21.95 1 5 0 66 328.747 5 ↓

Analogs

42432805
42432805

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Popular Name: [(2R)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]methanol [(2R)-1-[(5-chlorothiadiazol-4-y…

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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 1.71 -30.78 2 4 1 50 234.732 3 ↓
Hi High (pH 8-9.5) 1.13 -0.66 -6.38 1 4 0 49 233.724 3 ↓

Analogs

42432804
42432804

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]methanol [(2S)-1-[(5-chlorothiadiazol-4-y…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 2.04 -30.33 2 4 1 50 234.732 3 ↓
Hi High (pH 8-9.5) 1.13 -0.26 -5.43 1 4 0 49 233.724 3 ↓

Parameters Provided:

ring.id = 311670
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 = 311670 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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