UCSF
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Analogs

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Popular Name: (3R)-4-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-thiomorpholine (3R)-4-[(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) 2.09 3.38 -3.94 0 3 0 29 249.792 2 ↓
Mid Mid (pH 6-8) 2.09 5.47 -33.03 1 3 1 30 250.8 2 ↓

Analogs

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Popular Name: (3S)-4-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-thiomorpholine (3S)-4-[(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) 2.09 3.08 -4.39 0 3 0 29 249.792 2 ↓
Mid Mid (pH 6-8) 2.09 5.12 -33.29 1 3 1 30 250.8 2 ↓

Analogs

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Popular Name: N-methyl-4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiadiazol-5-amine N-methyl-4-[[(3R)-3-methylthiomo…

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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 1.81 -8.2 1 4 0 41 244.389 3 ↓
Mid Mid (pH 6-8) 1.27 3.92 -38.01 2 4 1 42 245.397 3 ↓

Analogs

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Popular Name: N-methyl-4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiadiazol-5-amine N-methyl-4-[[(3S)-3-methylthiomo…

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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 1.93 -8.41 1 4 0 41 244.389 3 ↓
Mid Mid (pH 6-8) 1.27 3.95 -38.16 2 4 1 42 245.397 3 ↓

Analogs

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Popular Name: N-ethyl-4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiadiazol-5-amine N-ethyl-4-[[(3S)-3-methylthiomor…

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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) 1.65 2.64 -7.33 1 4 0 41 258.416 4 ↓
Mid Mid (pH 6-8) 1.65 4.75 -37.03 2 4 1 42 259.424 4 ↓

Analogs

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Popular Name: N-ethyl-4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiadiazol-5-amine N-ethyl-4-[[(3R)-3-methylthiomor…

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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) 1.65 2.74 -7.54 1 4 0 41 258.416 4 ↓
Mid Mid (pH 6-8) 1.65 4.77 -37.08 2 4 1 42 259.424 4 ↓

Analogs

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Popular Name: 4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiadiazol-5-amine 4-[[(3R)-3-methylthiomorpholin-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) 0.90 0.78 -8.35 2 4 0 55 230.362 2 ↓
Mid Mid (pH 6-8) 0.90 2.88 -39.1 3 4 1 56 231.37 2 ↓

Analogs

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Popular Name: 4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiadiazol-5-amine 4-[[(3S)-3-methylthiomorpholin-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) 0.90 0.66 -8.65 2 4 0 55 230.362 2 ↓
Mid Mid (pH 6-8) 0.90 2.69 -39.37 3 4 1 56 231.37 2 ↓

Analogs

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Popular Name: [4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]thiadiazol-5-yl]hydrazine [4-[[(3R)-3-methylthiomorpholin-…

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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) 0.66 0.57 -8.53 3 5 0 67 245.377 3 ↓
Mid Mid (pH 6-8) 0.66 2.68 -39.17 4 5 1 68 246.385 3 ↓

Analogs

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Popular Name: [4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]thiadiazol-5-yl]hydrazine [4-[[(3S)-3-methylthiomorpholin-…

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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) 0.66 0.43 -8.8 3 5 0 67 245.377 3 ↓
Mid Mid (pH 6-8) 0.66 2.46 -39.16 4 5 1 68 246.385 3 ↓

Analogs

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Popular Name: (2S,6R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2,6-dimethyl-thiomorpholine (2S,6R)-4-[(5-chlorothiadiazol-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) 2.49 4.28 -4.02 0 3 0 29 263.819 2 ↓
Mid Mid (pH 6-8) 2.49 6.39 -35.72 1 3 1 30 264.827 2 ↓

Analogs

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Popular Name: (2S,6S)-4-[(5-chlorothiadiazol-4-yl)methyl]-2,6-dimethyl-thiomorpholine (2S,6S)-4-[(5-chlorothiadiazol-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) 2.49 4.77 -3.9 0 3 0 29 263.819 2 ↓
Mid Mid (pH 6-8) 2.49 6.46 -34.99 1 3 1 30 264.827 2 ↓

Analogs

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Popular Name: (2R,6R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2,6-dimethyl-thiomorpholine (2R,6R)-4-[(5-chlorothiadiazol-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) 2.49 4.43 -4.4 0 3 0 29 263.819 2 ↓
Mid Mid (pH 6-8) 2.49 6.11 -35.19 1 3 1 30 264.827 2 ↓

Analogs

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Popular Name: 4-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-N-methyl-thiadiazol-5-amine 4-[[(2S,6R)-2,6-dimethylthiomorp…

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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 2.72 -8.3 1 4 0 41 258.416 3 ↓
Mid Mid (pH 6-8) 1.67 4.82 -41.1 2 4 1 42 259.424 3 ↓

Analogs

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Popular Name: 4-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]-N-methyl-thiadiazol-5-amine 4-[[(2S,6S)-2,6-dimethylthiomorp…

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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 3.2 -8.22 1 4 0 41 258.416 3 ↓
Mid Mid (pH 6-8) 1.67 4.89 -40.34 2 4 1 42 259.424 3 ↓

Analogs

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Popular Name: 4-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-N-methyl-thiadiazol-5-amine 4-[[(2R,6R)-2,6-dimethylthiomorp…

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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 3.24 -8.45 1 4 0 41 258.416 3 ↓
Mid Mid (pH 6-8) 1.67 4.93 -40.01 2 4 1 42 259.424 3 ↓

Analogs

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Popular Name: 4-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]thiadiazol-5-amine 4-[[(2S,6R)-2,6-dimethylthiomorp…

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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) 1.29 1.68 -8.44 2 4 0 55 244.389 2 ↓
Mid Mid (pH 6-8) 1.29 3.79 -42.24 3 4 1 56 245.397 2 ↓

Analogs

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Popular Name: 4-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]thiadiazol-5-amine 4-[[(2S,6S)-2,6-dimethylthiomorp…

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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) 1.29 2.16 -8.43 2 4 0 55 244.389 2 ↓
Mid Mid (pH 6-8) 1.29 3.86 -41.52 3 4 1 56 245.397 2 ↓

Analogs

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Popular Name: 4-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]thiadiazol-5-amine 4-[[(2R,6R)-2,6-dimethylthiomorp…

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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) 1.29 1.98 -8.65 2 4 0 55 244.389 2 ↓
Mid Mid (pH 6-8) 1.29 3.68 -41.25 3 4 1 56 245.397 2 ↓

Analogs

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Popular Name: [4-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]thiadiazol-5-yl]hydrazine [4-[[(2S,6R)-2,6-dimethylthiomor…

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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 1.48 -8.99 3 5 0 67 259.404 3 ↓
Mid Mid (pH 6-8) 1.05 3.58 -42.39 4 5 1 68 260.412 3 ↓

Analogs

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Popular Name: [4-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]thiadiazol-5-yl]hydrazine [4-[[(2S,6S)-2,6-dimethylthiomor…

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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 1.96 -8.96 3 5 0 67 259.404 3 ↓
Mid Mid (pH 6-8) 1.05 3.65 -41.66 4 5 1 68 260.412 3 ↓

Analogs

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Popular Name: [4-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]thiadiazol-5-yl]hydrazine [4-[[(2R,6R)-2,6-dimethylthiomor…

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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 1.75 -8.84 3 5 0 67 259.404 3 ↓
Mid Mid (pH 6-8) 1.05 3.44 -41.12 4 5 1 68 260.412 3 ↓

Parameters Provided:

ring.id = 445303
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 445303 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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