UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (2S)-2-phenyl-1-thiomorpholino-propan-2-amine (2S)-2-phenyl-1-thiomorpholino-p…

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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) 2.17 4.84 -43.4 3 2 1 31 237.392 3 ↓
Hi High (pH 8-9.5) 2.17 5.46 -3.11 2 2 0 29 236.384 3 ↓
Lo Low (pH 4.5-6) 2.17 7 -36.34 3 2 1 30 237.392 3 ↓

Analogs

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Popular Name: (2R)-2-phenyl-1-thiomorpholino-propan-2-amine (2R)-2-phenyl-1-thiomorpholino-p…

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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) 2.17 5.52 -43.27 3 2 1 31 237.392 3 ↓
Hi High (pH 8-9.5) 2.17 5.18 -2.7 2 2 0 29 236.384 3 ↓
Lo Low (pH 4.5-6) 2.17 6.6 -36.53 3 2 1 30 237.392 3 ↓

Analogs

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Popular Name: 2-(2-thiomorpholinoethyl)aniline 2-(2-thiomorpholinoethyl)aniline

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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) 1.97 6.85 -40.54 3 2 1 30 223.365 3 ↓
Mid Mid (pH 6-8) 1.97 4.74 -3.48 2 2 0 29 222.357 3 ↓

Analogs

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Popular Name: (2R)-N-(butylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-(butylcarbamoyl)-2-[4-(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) 3.58 9.45 -55.46 4 6 1 75 393.577 9 ↓
Mid Mid (pH 6-8) 3.58 7.35 -18.13 3 6 0 73 392.569 9 ↓

Analogs

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Popular Name: (2S)-N-(butylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-(butylcarbamoyl)-2-[4-(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) 3.58 9.44 -55.03 4 6 1 75 393.577 9 ↓
Mid Mid (pH 6-8) 3.58 7.35 -18.09 3 6 0 73 392.569 9 ↓

Analogs

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Popular Name: (2S)-N-(allylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-(allylcarbamoyl)-2-[4-(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) 2.79 8.46 -54.64 4 6 1 75 377.534 8 ↓
Mid Mid (pH 6-8) 2.79 6.36 -17.89 3 6 0 73 376.526 8 ↓

Analogs

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Popular Name: (2R)-N-(allylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-(allylcarbamoyl)-2-[4-(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) 2.79 8.46 -55.14 4 6 1 75 377.534 8 ↓
Mid Mid (pH 6-8) 2.79 6.35 -17.92 3 6 0 73 376.526 8 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-1-methylpropyl]-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-[(1R)-1-methylpropyl]-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) 3.70 9.46 -45.18 3 4 1 46 350.552 8 ↓
Mid Mid (pH 6-8) 3.70 7.36 -8.55 2 4 0 44 349.544 8 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-1-methylpropyl]-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-[(1S)-1-methylpropyl]-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) 3.70 9.47 -45.24 3 4 1 46 350.552 8 ↓
Mid Mid (pH 6-8) 3.70 7.36 -8.62 2 4 0 44 349.544 8 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-1-methylpropyl]-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-[(1R)-1-methylpropyl]-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) 3.70 9.47 -44.91 3 4 1 46 350.552 8 ↓
Mid Mid (pH 6-8) 3.70 7.37 -8.62 2 4 0 44 349.544 8 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-1-methylpropyl]-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-[(1S)-1-methylpropyl]-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) 3.70 9.47 -44.84 3 4 1 46 350.552 8 ↓
Mid Mid (pH 6-8) 3.70 7.37 -8.61 2 4 0 44 349.544 8 ↓

Analogs

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Popular Name: (2R)-N-(isopropylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-(isopropylcarbamoyl)-2-[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) 2.82 8.7 -55.64 4 6 1 75 379.55 7 ↓
Mid Mid (pH 6-8) 2.82 6.61 -18.43 3 6 0 73 378.542 7 ↓

Analogs

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Popular Name: (2S)-N-(isopropylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-(isopropylcarbamoyl)-2-[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) 2.82 8.72 -55.1 4 6 1 75 379.55 7 ↓
Mid Mid (pH 6-8) 2.82 6.61 -18.38 3 6 0 73 378.542 7 ↓

Analogs

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Popular Name: (2R)-N-(isobutylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-(isobutylcarbamoyl)-2-[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) 3.27 9.43 -55.31 4 6 1 75 393.577 8 ↓
Mid Mid (pH 6-8) 3.27 7.33 -17.96 3 6 0 73 392.569 8 ↓

Analogs

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Popular Name: (2S)-N-(isobutylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-(isobutylcarbamoyl)-2-[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) 3.27 9.43 -54.79 4 6 1 75 393.577 8 ↓
Mid Mid (pH 6-8) 3.27 7.33 -17.91 3 6 0 73 392.569 8 ↓

Analogs

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Popular Name: (2S)-N-(2-methoxyethylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-(2-methoxyethylcarbamoyl)…

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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) 2.13 6.99 -55.19 4 7 1 84 395.549 9 ↓
Mid Mid (pH 6-8) 2.13 4.89 -18.37 3 7 0 83 394.541 9 ↓

Analogs

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Popular Name: (2R)-N-(2-methoxyethylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-(2-methoxyethylcarbamoyl)…

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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) 2.13 6.99 -55.48 4 7 1 84 395.549 9 ↓
Mid Mid (pH 6-8) 2.13 4.88 -18.39 3 7 0 83 394.541 9 ↓

Analogs

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Popular Name: (2S)-N-(methylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-(methylcarbamoyl)-2-[4-(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) 2.15 7.08 -55.79 4 6 1 75 351.496 6 ↓
Mid Mid (pH 6-8) 2.15 4.97 -19.05 3 6 0 73 350.488 6 ↓

Analogs

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Popular Name: (2R)-N-(methylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-(methylcarbamoyl)-2-[4-(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) 2.15 7.07 -56.27 4 6 1 75 351.496 6 ↓
Mid Mid (pH 6-8) 2.15 4.97 -19.05 3 6 0 73 350.488 6 ↓

Analogs

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Popular Name: (2S)-N-carbamoyl-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-carbamoyl-2-[4-(2-thiomor…

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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) 1.77 5.66 -55.79 5 6 1 89 337.469 6 ↓
Mid Mid (pH 6-8) 1.77 3.56 -18.95 4 6 0 87 336.461 6 ↓

Analogs

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Popular Name: (2R)-N-carbamoyl-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-carbamoyl-2-[4-(2-thiomor…

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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) 1.77 5.66 -56.27 5 6 1 89 337.469 6 ↓
Mid Mid (pH 6-8) 1.77 3.56 -19.01 4 6 0 87 336.461 6 ↓

Analogs

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Popular Name: (2S)-N-tert-butyl-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-tert-butyl-2-[4-(2-thiomo…

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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) 3.68 9.01 -44.06 3 4 1 46 350.552 7 ↓
Mid Mid (pH 6-8) 3.68 6.9 -7.96 2 4 0 44 349.544 7 ↓

Analogs

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Popular Name: (2R)-N-tert-butyl-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-tert-butyl-2-[4-(2-thiomo…

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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) 3.68 9 -44.41 3 4 1 46 350.552 7 ↓
Mid Mid (pH 6-8) 3.68 6.9 -7.98 2 4 0 44 349.544 7 ↓

Analogs

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Popular Name: (2S)-N-tert-butyl-3-methyl-2-[4-(2-thiomorpholinoethyl)anilino]butanamide (2S)-N-tert-butyl-3-methyl-2-[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) 4.46 10.29 -43.58 3 4 1 46 378.606 8 ↓
Mid Mid (pH 6-8) 4.46 8.47 -8.44 2 4 0 44 377.598 8 ↓

Analogs

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Popular Name: (2R)-N-tert-butyl-3-methyl-2-[4-(2-thiomorpholinoethyl)anilino]butanamide (2R)-N-tert-butyl-3-methyl-2-[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) 4.46 10.32 -44.11 3 4 1 46 378.606 8 ↓
Mid Mid (pH 6-8) 4.46 8.16 -7.19 2 4 0 44 377.598 8 ↓

Analogs

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Popular Name: (2R)-N-(ethylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2R)-N-(ethylcarbamoyl)-2-[4-(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) 2.52 7.91 -55.64 4 6 1 75 365.523 7 ↓
Mid Mid (pH 6-8) 2.52 5.81 -18.35 3 6 0 73 364.515 7 ↓

Analogs

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Popular Name: (2S)-N-(ethylcarbamoyl)-2-[4-(2-thiomorpholinoethyl)anilino]propanamide (2S)-N-(ethylcarbamoyl)-2-[4-(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) 2.52 7.92 -55.17 4 6 1 75 365.523 7 ↓
Mid Mid (pH 6-8) 2.52 5.81 -18.3 3 6 0 73 364.515 7 ↓

Analogs

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Popular Name: 1-[4-(2-thiomorpholinoethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea 1-[4-(2-thiomorpholinoethyl)phen…

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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) 2.97 7.75 -46.75 3 4 1 46 348.414 6 ↓
Mid Mid (pH 6-8) 2.97 5.6 -8.86 2 4 0 44 347.406 6 ↓

Analogs

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Popular Name: 4-[(2R)-2-phenylbutyl]thiomorpholine 4-[(2R)-2-phenylbutyl]thiomorpho…

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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) 3.68 9.69 -36.46 1 1 1 4 236.404 4 ↓
Mid Mid (pH 6-8) 3.68 8.31 -2.66 0 1 0 3 235.396 4 ↓

Analogs

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Popular Name: 4-[2-[(3R)-3-methylthiomorpholin-4-yl]ethyl]aniline 4-[2-[(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) 1.94 7.2 -36.99 3 2 1 30 237.392 3 ↓
Mid Mid (pH 6-8) 1.94 5.17 -3.57 2 2 0 29 236.384 3 ↓

Analogs

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Popular Name: 4-[2-[(3S)-3-methylthiomorpholin-4-yl]ethyl]aniline 4-[2-[(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) 1.94 7.2 -36.95 3 2 1 30 237.392 3 ↓
Mid Mid (pH 6-8) 1.94 5.17 -3.58 2 2 0 29 236.384 3 ↓

Analogs

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Popular Name: 2-[2-[(3R)-3-methylthiomorpholin-4-yl]ethyl]aniline 2-[2-[(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) 2.30 7.28 -38.3 3 2 1 30 237.392 3 ↓
Mid Mid (pH 6-8) 2.30 5.25 -3.41 2 2 0 29 236.384 3 ↓

Analogs

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Popular Name: 2-[2-[(3S)-3-methylthiomorpholin-4-yl]ethyl]aniline 2-[2-[(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) 2.30 7.28 -38.2 3 2 1 30 237.392 3 ↓
Mid Mid (pH 6-8) 2.30 5.25 -3.48 2 2 0 29 236.384 3 ↓

Analogs

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Popular Name: (1R)-2-[(3R)-3-methylthiomorpholin-4-yl]-1-phenyl-ethanamine (1R)-2-[(3R)-3-methylthiomorphol…

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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 5.19 -45.49 3 2 1 31 237.392 3 ↓
Hi High (pH 8-9.5) 0.17 4.78 -2.85 2 2 0 29 236.384 3 ↓
Lo Low (pH 4.5-6) 0.17 6.58 -37.32 3 2 1 30 237.392 3 ↓

Analogs

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Popular Name: (1R)-2-[(3S)-3-methylthiomorpholin-4-yl]-1-phenyl-ethanamine (1R)-2-[(3S)-3-methylthiomorphol…

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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 5.28 -44.53 3 2 1 31 237.392 3 ↓
Hi High (pH 8-9.5) 0.17 4.86 -2.91 2 2 0 29 236.384 3 ↓
Lo Low (pH 4.5-6) 0.17 6.42 -38.49 3 2 1 30 237.392 3 ↓

Analogs

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Popular Name: (1R)-2-[(3R)-3-methylthiomorpholin-4-yl]-1-phenyl-ethanol (1R)-2-[(3R)-3-methylthiomorphol…

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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 6.29 -37.29 2 2 1 25 238.376 3 ↓
Hi High (pH 8-9.5) 1.87 4.21 -4.42 1 2 0 23 237.368 3 ↓

Analogs

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Popular Name: (1R)-2-[(3S)-3-methylthiomorpholin-4-yl]-1-phenyl-ethanol (1R)-2-[(3S)-3-methylthiomorphol…

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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 6.62 -38.29 2 2 1 25 238.376 3 ↓
Hi High (pH 8-9.5) 1.87 4.57 -4.15 1 2 0 23 237.368 3 ↓

Analogs

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Popular Name: 4-[2-(4-nitrophenyl)ethyl]thiomorpholine 4-[2-(4-nitrophenyl)ethyl]thiomo…

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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 9.58 -55.22 1 4 1 50 253.347 4 ↓
Mid Mid (pH 6-8) 2.49 7.49 -8.27 0 4 0 49 252.339 4 ↓

Parameters Provided:

ring.id = 30634
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 = 30634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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