UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(3-pyridylmethyl)thiomorpholine 4-(3-pyridylmethyl)thiomorpholine

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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) 0.89 4.12 -5.07 0 2 0 16 194.303 2 ↓

Analogs

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Popular Name: [3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]methanamine [3-[[(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) 0.81 3.41 -40.89 3 3 1 44 238.38 3 ↓
Hi High (pH 8-9.5) 0.81 2.38 -4.05 2 3 0 42 237.372 3 ↓
Mid Mid (pH 6-8) 0.81 4.56 -114.46 4 3 2 45 239.388 3 ↓

Analogs

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Popular Name: [3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]methanamine [3-[[(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) 0.81 2.87 -45.47 3 3 1 44 238.38 3 ↓
Hi High (pH 8-9.5) 0.81 2.44 -4.34 2 3 0 42 237.372 3 ↓
Mid Mid (pH 6-8) 0.81 4.61 -114.1 4 3 2 45 239.388 3 ↓

Analogs

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Popular Name: (3R)-4-[(2-chloro-3-pyridyl)methyl]-3-methyl-thiomorpholine (3R)-4-[(2-chloro-3-pyridyl)meth…

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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) 2.19 5.04 -5.91 0 2 0 16 242.775 2 ↓
Mid Mid (pH 6-8) 2.19 7.13 -36.58 1 2 1 17 243.783 2 ↓

Analogs

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Popular Name: (3S)-4-[(2-chloro-3-pyridyl)methyl]-3-methyl-thiomorpholine (3S)-4-[(2-chloro-3-pyridyl)meth…

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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) 2.19 4.63 -6.05 0 2 0 16 242.775 2 ↓
Mid Mid (pH 6-8) 2.19 6.75 -37.06 1 2 1 17 243.783 2 ↓

Analogs

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Popular Name: (3R)-4-[(6-chloro-3-pyridyl)methyl]-3-methyl-thiomorpholine (3R)-4-[(6-chloro-3-pyridyl)meth…

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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 4.99 -5.44 0 2 0 16 242.775 2 ↓
Mid Mid (pH 6-8) 2.24 7.02 -43.3 1 2 1 17 243.783 2 ↓

Analogs

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Popular Name: (3S)-4-[(6-chloro-3-pyridyl)methyl]-3-methyl-thiomorpholine (3S)-4-[(6-chloro-3-pyridyl)meth…

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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 5.07 -5.64 0 2 0 16 242.775 2 ↓
Mid Mid (pH 6-8) 2.24 7.11 -43.59 1 2 1 17 243.783 2 ↓

Analogs

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Popular Name: N-methyl-5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine N-methyl-5-[[(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) 1.42 6.25 -37.28 2 3 1 29 238.38 3 ↓
Hi High (pH 8-9.5) 1.42 4.22 -5.23 1 3 0 28 237.372 3 ↓
Mid Mid (pH 6-8) 1.42 6.73 -97.31 3 3 2 31 239.388 3 ↓

Analogs

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Popular Name: N-methyl-5-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine N-methyl-5-[[(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) 1.42 6.33 -37.49 2 3 1 29 238.38 3 ↓
Hi High (pH 8-9.5) 1.42 4.29 -5.36 1 3 0 28 237.372 3 ↓
Mid Mid (pH 6-8) 1.42 6.81 -97.06 3 3 2 31 239.388 3 ↓

Analogs

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Popular Name: 5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine 5-[[(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) 1.05 5.34 -37.24 3 3 1 43 224.353 2 ↓
Mid Mid (pH 6-8) 1.05 3.31 -5.12 2 3 0 42 223.345 2 ↓
Mid Mid (pH 6-8) 1.05 5.82 -98.02 4 3 2 45 225.361 2 ↓

Analogs

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Popular Name: 5-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine 5-[[(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) 1.05 5.42 -37.49 3 3 1 43 224.353 2 ↓
Mid Mid (pH 6-8) 1.05 3.38 -5.27 2 3 0 42 223.345 2 ↓
Mid Mid (pH 6-8) 1.05 5.9 -97.89 4 3 2 45 225.361 2 ↓

Analogs

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Popular Name: 3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine 3-[[(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) 0.99 5.39 -37 3 3 1 43 224.353 2 ↓
Mid Mid (pH 6-8) 0.99 3.25 -4.6 2 3 0 42 223.345 2 ↓
Mid Mid (pH 6-8) 0.99 3.71 -32.65 3 3 1 43 224.353 2 ↓

Analogs

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Popular Name: 3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine 3-[[(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) 0.99 5.6 -37.14 3 3 1 43 224.353 2 ↓
Mid Mid (pH 6-8) 0.99 3.46 -4.89 2 3 0 42 223.345 2 ↓
Mid Mid (pH 6-8) 0.99 3.93 -32.22 3 3 1 43 224.353 2 ↓

Analogs

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Popular Name: N-methyl-3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine N-methyl-3-[[(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) 1.37 6.9 -37.05 2 3 1 29 238.38 3 ↓
Hi High (pH 8-9.5) 1.37 4.75 -4.76 1 3 0 28 237.372 3 ↓
Mid Mid (pH 6-8) 1.37 7.29 -93.8 3 3 2 31 239.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine N-methyl-3-[[(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) 1.37 6.83 -37.3 2 3 1 29 238.38 3 ↓
Hi High (pH 8-9.5) 1.37 4.65 -5.12 1 3 0 28 237.372 3 ↓
Mid Mid (pH 6-8) 1.37 7.21 -94 3 3 2 31 239.388 3 ↓

Analogs

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Popular Name: [5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [5-[[(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) 0.81 5.24 -38.24 4 4 1 55 239.368 3 ↓
Mid Mid (pH 6-8) 0.81 3.21 -6.22 3 4 0 54 238.36 3 ↓
Lo Low (pH 4.5-6) 0.81 5.72 -97.24 5 4 2 57 240.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [5-[[(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) 0.81 5.33 -38.55 4 4 1 55 239.368 3 ↓
Mid Mid (pH 6-8) 0.81 3.29 -6.42 3 4 0 54 238.36 3 ↓
Lo Low (pH 4.5-6) 0.81 5.8 -97.14 5 4 2 57 240.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [3-[[(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) 0.75 5.23 -38.02 4 4 1 55 239.368 3 ↓
Mid Mid (pH 6-8) 0.75 3.09 -5.53 3 4 0 54 238.36 3 ↓
Lo Low (pH 4.5-6) 0.75 5.71 -94.44 5 4 2 57 240.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [3-[[(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) 0.75 5.47 -38.43 4 4 1 55 239.368 3 ↓
Mid Mid (pH 6-8) 0.75 3.32 -5.72 3 4 0 54 238.36 3 ↓
Lo Low (pH 4.5-6) 0.75 5.96 -94.9 5 4 2 57 240.376 3 ↓

Analogs

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Popular Name: (2S,6R)-4-[(2-chloro-3-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2S,6R)-4-[(2-chloro-3-pyridyl)m…

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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) 2.58 5.93 -6.37 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.58 8.05 -38.5 1 2 1 17 257.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-[(2-chloro-3-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2S,6S)-4-[(2-chloro-3-pyridyl)m…

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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) 2.58 6.41 -5.91 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.58 8.12 -38.12 1 2 1 17 257.81 2 ↓

Analogs

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Popular Name: (2R,6R)-4-[(2-chloro-3-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2R,6R)-4-[(2-chloro-3-pyridyl)m…

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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) 2.58 6.51 -5.85 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.58 8.09 -37.96 1 2 1 17 257.81 2 ↓

Analogs

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Popular Name: (2S,6R)-4-[(6-chloro-3-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2S,6R)-4-[(6-chloro-3-pyridyl)m…

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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) 2.64 5.82 -5.5 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.64 7.93 -46.51 1 2 1 17 257.81 2 ↓

Analogs

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Popular Name: (2S,6S)-4-[(6-chloro-3-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2S,6S)-4-[(6-chloro-3-pyridyl)m…

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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) 2.64 6.3 -5.41 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.64 8 -45.68 1 2 1 17 257.81 2 ↓

Analogs

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Popular Name: (2R,6R)-4-[(6-chloro-3-pyridyl)methyl]-2,6-dimethyl-thiomorpholine (2R,6R)-4-[(6-chloro-3-pyridyl)m…

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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) 2.64 6.29 -5.39 0 2 0 16 256.802 2 ↓
Mid Mid (pH 6-8) 2.64 7.98 -45.62 1 2 1 17 257.81 2 ↓

Analogs

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Popular Name: 5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 5-[[(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) 1.44 6.24 -39.85 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.44 4.13 -5.1 2 3 0 42 237.372 2 ↓
Mid Mid (pH 6-8) 1.44 6.71 -101.92 4 3 2 45 239.388 2 ↓

Analogs

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Popular Name: 5-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 5-[[(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) 1.44 6.3 -39.17 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.44 6.78 -101.02 4 3 2 45 239.388 2 ↓
Mid Mid (pH 6-8) 1.44 5.09 -33.36 3 3 1 43 238.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 5-[[(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) 1.44 6.29 -39.11 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.44 6.77 -100.98 4 3 2 45 239.388 2 ↓
Mid Mid (pH 6-8) 1.44 5.08 -33.04 3 3 1 43 238.38 2 ↓

Analogs

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Popular Name: 3-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 3-[[(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) 1.39 4.98 -32.46 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.39 6.61 -39.66 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.39 7.08 -100.33 4 3 2 45 239.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 3-[[(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) 1.39 5.28 -32.86 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.39 7.04 -99.46 4 3 2 45 239.388 2 ↓
Mid Mid (pH 6-8) 1.39 4.81 -4.74 2 3 0 42 237.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 3-[[(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) 1.39 5.46 -32.71 3 3 1 43 238.38 2 ↓
Mid Mid (pH 6-8) 1.39 4.98 -4.74 2 3 0 42 237.372 2 ↓
Mid Mid (pH 6-8) 1.39 6.64 -38.83 3 3 1 43 238.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [5-[[(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) 1.20 6.14 -40.94 4 4 1 55 253.395 3 ↓
Mid Mid (pH 6-8) 1.20 4.03 -6.24 3 4 0 54 252.387 3 ↓
Lo Low (pH 4.5-6) 1.20 6.62 -101.09 5 4 2 57 254.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [5-[[(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) 1.20 6.21 -40.23 4 4 1 55 253.395 3 ↓
Mid Mid (pH 6-8) 1.20 4.52 -6 3 4 0 54 252.387 3 ↓
Lo Low (pH 4.5-6) 1.20 6.68 -100.23 5 4 2 57 254.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [5-[[(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) 1.20 6.2 -40.19 4 4 1 55 253.395 3 ↓
Mid Mid (pH 6-8) 1.20 4.51 -6.02 3 4 0 54 252.387 3 ↓
Lo Low (pH 4.5-6) 1.20 6.67 -100.15 5 4 2 57 254.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [3-[[(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) 1.15 6.45 -40.92 4 4 1 55 253.395 3 ↓
Mid Mid (pH 6-8) 1.15 4.38 -6.45 3 4 0 54 252.387 3 ↓
Lo Low (pH 4.5-6) 1.15 6.93 -99 5 4 2 57 254.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [3-[[(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) 1.15 6.51 -40.34 4 4 1 55 253.395 3 ↓
Mid Mid (pH 6-8) 1.15 4.86 -6.13 3 4 0 54 252.387 3 ↓
Lo Low (pH 4.5-6) 1.15 6.98 -98.01 5 4 2 57 254.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-2-pyridyl]hydrazine [3-[[(2R,6R)-2,6-dimethylthiomor…

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) 1.15 6.46 -41 4 4 1 55 253.395 3 ↓
Mid Mid (pH 6-8) 1.15 4.68 -5.75 3 4 0 54 252.387 3 ↓
Lo Low (pH 4.5-6) 1.15 6.94 -98.78 5 4 2 57 254.403 3 ↓

Parameters Provided:

ring.id = 423561
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 = 423561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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