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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-methyl-5-thiomorpholino-aniline 2-methyl-5-thiomorpholino-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) 2.29 5.3 -4.06 2 2 0 29 208.33 1 ↓

Analogs

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Popular Name: (1S)-1-(2-fluoro-6-thiomorpholino-phenyl)ethanol (1S)-1-(2-fluoro-6-thiomorpholin…

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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) 2.06 5.82 -5.5 1 2 0 23 241.331 2 ↓

Analogs

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Popular Name: (1R)-1-(2-fluoro-6-thiomorpholino-phenyl)ethanol (1R)-1-(2-fluoro-6-thiomorpholin…

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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) 2.06 5.81 -5.51 1 2 0 23 241.331 2 ↓

Analogs

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Popular Name: (1S)-1-(4-thiomorpholinophenyl)ethanol (1S)-1-(4-thiomorpholinophenyl)e…

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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) 1.99 4.85 -5.22 1 2 0 23 223.341 2 ↓

Analogs

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Popular Name: (1R)-1-(4-thiomorpholinophenyl)ethanol (1R)-1-(4-thiomorpholinophenyl)e…

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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) 1.99 4.81 -5.28 1 2 0 23 223.341 2 ↓

Analogs

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Popular Name: (1S)-1-(5-fluoro-2-thiomorpholino-phenyl)ethanol (1S)-1-(5-fluoro-2-thiomorpholin…

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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) 2.08 5.47 -3.96 1 2 0 23 241.331 2 ↓

Analogs

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Popular Name: (1R)-1-(5-fluoro-2-thiomorpholino-phenyl)ethanol (1R)-1-(5-fluoro-2-thiomorpholin…

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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) 2.08 5.46 -3.95 1 2 0 23 241.331 2 ↓

Analogs

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Popular Name: (1S)-1-(3-fluoro-4-thiomorpholino-phenyl)ethanol (1S)-1-(3-fluoro-4-thiomorpholin…

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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) 2.08 5.36 -4.62 1 2 0 23 241.331 2 ↓

Analogs

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Popular Name: (1R)-1-(3-fluoro-4-thiomorpholino-phenyl)ethanol (1R)-1-(3-fluoro-4-thiomorpholin…

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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) 2.08 5.31 -4.6 1 2 0 23 241.331 2 ↓

Analogs

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Popular Name: (1S)-1-(3-nitro-4-thiomorpholino-phenyl)ethanol (1S)-1-(3-nitro-4-thiomorpholino…

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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) 1.88 6.55 -7.06 1 5 0 69 268.338 3 ↓

Analogs

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Popular Name: (1R)-1-(3-nitro-4-thiomorpholino-phenyl)ethanol (1R)-1-(3-nitro-4-thiomorpholino…

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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) 1.88 6.52 -7.19 1 5 0 69 268.338 3 ↓

Analogs

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Popular Name: 2-[[(4-thiomorpholinophenyl)methylamino]methylene]propanedinitrile 2-[[(4-thiomorpholinophenyl)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) 1.67 8.11 -15.38 1 4 0 63 284.388 4 ↓

Analogs

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Popular Name: 5-nitro-2-thiomorpholino-aniline 5-nitro-2-thiomorpholino-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) 1.80 6.13 -6.12 2 5 0 75 239.3 2 ↓

Analogs

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Popular Name: (5-chloro-2-thiomorpholino-phenyl)methanamine (5-chloro-2-thiomorpholino-pheny…

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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) 2.22 5.95 -47.62 3 2 1 31 243.783 2 ↓

Analogs

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Popular Name: 5-chloro-2-thiomorpholino-benzenecarbothioamide 5-chloro-2-thiomorpholino-benzen…

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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) 2.83 7.15 -8.1 2 2 0 29 272.826 2 ↓

Analogs

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Popular Name: 5-chloro-2-thiomorpholino-benzonitrile 5-chloro-2-thiomorpholino-benzon…

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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 8.24 -5.6 0 2 0 27 238.743 1 ↓

Analogs

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Popular Name: 5-chloro-2-thiomorpholino-benzamidine 5-chloro-2-thiomorpholino-benzam…

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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 5.48 -34.63 4 3 1 55 256.782 2 ↓
Mid Mid (pH 6-8) 1.42 6.51 -3.37 3 3 0 53 255.774 2 ↓

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-thiomorpholino-benzamidine 5-chloro-N'-hydroxy-2-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) 1.35 4.46 -6.27 3 4 0 62 271.773 2 ↓
Lo Low (pH 4.5-6) 1.35 4.34 -35.54 4 4 1 63 272.781 2 ↓

Analogs

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Popular Name: 2-chloro-N'-hydroxy-6-thiomorpholino-benzamidine 2-chloro-N'-hydroxy-6-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) 1.32 3.95 -6.63 3 4 0 62 271.773 2 ↓
Lo Low (pH 4.5-6) 1.32 3.99 -32.61 4 4 1 63 272.781 2 ↓

Analogs

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Popular Name: 2-chloro-6-thiomorpholino-benzenecarbothioamide 2-chloro-6-thiomorpholino-benzen…

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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) 2.81 6.96 -11.2 2 2 0 29 272.826 2 ↓

Analogs

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Popular Name: 2-chloro-6-thiomorpholino-benzamidine 2-chloro-6-thiomorpholino-benzam…

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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) 1.40 5.12 -30.95 4 3 1 55 256.782 2 ↓
Mid Mid (pH 6-8) 1.40 5.11 -5.42 3 3 0 53 255.774 2 ↓

Analogs

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Popular Name: N-[(4-thiomorpholinophenyl)methyl]butane-1-sulfonamide N-[(4-thiomorpholinophenyl)methy…

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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) 2.80 5.93 -12.08 1 4 0 49 328.503 7 ↓

Analogs

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Popular Name: 4-cyano-N-[(4-thiomorpholinophenyl)methyl]butane-1-sulfonamide 4-cyano-N-[(4-thiomorpholinophen…

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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) 1.59 6.45 -18.18 1 5 0 73 353.513 8 ↓

Analogs

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Popular Name: 2-methyl-N-[(4-thiomorpholinophenyl)methyl]propan-1-amine 2-methyl-N-[(4-thiomorpholinophe…

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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) 3.11 8.87 -39.49 2 2 1 20 265.446 5 ↓

Analogs

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Popular Name: 5-nitro-2-thiomorpholino-benzenesulfonamide 5-nitro-2-thiomorpholino-benzene…

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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) 1.01 3.29 -13.17 2 7 0 109 303.365 3 ↓

Analogs

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Popular Name: N,N-diethyl-3-nitro-4-thiomorpholino-benzenesulfonamide N,N-diethyl-3-nitro-4-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) 2.38 8.08 -11.26 0 7 0 86 359.473 6 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-3-nitro-4-thiomorpholino-benzenesulfonamide N-(2-dimethylaminoethyl)-3-nitro…

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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) 1.41 6.67 -54.83 2 8 1 100 375.496 7 ↓
Hi High (pH 8-9.5) 1.41 4.21 -12.17 1 8 0 98 374.488 7 ↓

Analogs

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Popular Name: (4-chloro-2-thiomorpholino-phenyl)methanamine (4-chloro-2-thiomorpholino-pheny…

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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) 2.22 5.95 -49.95 3 2 1 31 243.783 2 ↓

Analogs

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Popular Name: 4-chloro-2-thiomorpholino-benzenecarbothioamide 4-chloro-2-thiomorpholino-benzen…

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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) 2.83 7.15 -9.31 2 2 0 29 272.826 2 ↓

Analogs

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Popular Name: 4-chloro-2-thiomorpholino-benzamidine 4-chloro-2-thiomorpholino-benzam…

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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 5.48 -36.46 4 3 1 55 256.782 2 ↓
Hi High (pH 8-9.5) 1.42 6.51 -4.05 3 3 0 53 255.774 2 ↓

Analogs

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Popular Name: 4-chloro-N'-hydroxy-2-thiomorpholino-benzamidine 4-chloro-N'-hydroxy-2-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) 1.35 4.45 -5.59 3 4 0 62 271.773 2 ↓
Lo Low (pH 4.5-6) 1.35 4.34 -37.17 4 4 1 63 272.781 2 ↓

Analogs

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Popular Name: 4-chloro-2-thiomorpholino-benzonitrile 4-chloro-2-thiomorpholino-benzon…

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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 8.25 -5.33 0 2 0 27 238.743 1 ↓

Analogs

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Popular Name: (3-chloro-4-thiomorpholino-phenyl)methanamine (3-chloro-4-thiomorpholino-pheny…

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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) 2.22 5.88 -48.88 3 2 1 31 243.783 2 ↓
Hi High (pH 8-9.5) 2.22 5.47 -2.68 2 2 0 29 242.775 2 ↓

Analogs

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Popular Name: 3-chloro-4-thiomorpholino-benzonitrile 3-chloro-4-thiomorpholino-benzon…

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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 8.25 -5.28 0 2 0 27 238.743 1 ↓

Analogs

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Popular Name: 3-chloro-4-thiomorpholino-benzamidine 3-chloro-4-thiomorpholino-benzam…

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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 5.74 -36.46 4 3 1 55 256.782 2 ↓

Analogs

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Popular Name: 3-chloro-N'-hydroxy-4-thiomorpholino-benzamidine 3-chloro-N'-hydroxy-4-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) 1.35 4.53 -7.38 3 4 0 62 271.773 2 ↓
Lo Low (pH 4.5-6) 1.35 4.48 -37.37 4 4 1 63 272.781 2 ↓

Analogs

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Popular Name: 3-chloro-4-thiomorpholino-benzenecarbothioamide 3-chloro-4-thiomorpholino-benzen…

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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) 2.83 7.08 -10.4 2 2 0 29 272.826 2 ↓

Analogs

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Popular Name: 3-fluoro-4-thiomorpholino-benzenesulfonamide 3-fluoro-4-thiomorpholino-benzen…

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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) 1.21 2.13 -10.49 2 4 0 63 276.358 2 ↓

Analogs

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Popular Name: 3,5-difluoro-4-thiomorpholino-benzoic 3,5-difluoro-4-thiomorpholino-be…

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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 7.89 -39.93 0 3 -1 43 258.269 2 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-methylsulfanyl-N-[(4-thiomorpholinophenyl)methyl]propanamide (2R)-2-methyl-3-methylsulfanyl-N…

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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 8.3 -7.44 1 3 0 32 324.515 6 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-methylsulfanyl-N-[(4-thiomorpholinophenyl)methyl]propanamide (2S)-2-methyl-3-methylsulfanyl-N…

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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 8.3 -7.48 1 3 0 32 324.515 6 ↓

Analogs

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Popular Name: 3-amino-4-[(3R)-3-methylthiomorpholin-4-yl]benzamide 3-amino-4-[(3R)-3-methylthiomorp…

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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 2.48 -8.22 4 4 0 72 251.355 2 ↓

Analogs

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Popular Name: 3-amino-4-[(3S)-3-methylthiomorpholin-4-yl]benzamide 3-amino-4-[(3S)-3-methylthiomorp…

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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 2.63 -8.45 4 4 0 72 251.355 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.90 7.03 -5.05 2 4 0 56 280.393 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.90 7.02 -5.13 2 4 0 56 280.393 4 ↓

Analogs

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Popular Name: 2-amino-5-[(3R)-3-methylthiomorpholin-4-yl]benzamide 2-amino-5-[(3R)-3-methylthiomorp…

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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 2.35 -6.39 4 4 0 72 251.355 2 ↓
Lo Low (pH 4.5-6) 0.99 2.59 -39.96 5 4 1 74 252.363 2 ↓

Analogs

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Popular Name: 2-amino-5-[(3S)-3-methylthiomorpholin-4-yl]benzamide 2-amino-5-[(3S)-3-methylthiomorp…

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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 2.35 -6.22 4 4 0 72 251.355 2 ↓
Lo Low (pH 4.5-6) 0.99 2.59 -39.9 5 4 1 74 252.363 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.61 6.24 -4.6 2 4 0 56 284.356 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.61 6.22 -4.81 2 4 0 56 284.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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 7.39 -6.26 2 4 0 56 280.393 4 ↓

Parameters Provided:

ring.id = 5520
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 = 5520 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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