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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-fluoro-6-(tetrahydrothiopyran-4-ylamino)benzonitrile 2-fluoro-6-(tetrahydrothiopyran-…

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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) 3.20 6.79 -8.34 1 2 0 36 236.315 2 ↓

Analogs

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Popular Name: N1,N1-dimethyl-N4-tetrahydrothiopyran-4-yl-benzene-1,4-diamine N1,N1-dimethyl-N4-tetrahydrothio…

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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) 3.48 6.77 -3.67 1 2 0 15 236.384 3 ↓

Analogs

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Popular Name: N-(4-fluoro-2-nitro-phenyl)tetrahydrothiopyran-4-amine N-(4-fluoro-2-nitro-phenyl)tetra…

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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) 3.43 7.41 -7.51 1 4 0 58 256.302 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-nitro-phenyl)tetrahydrothiopyran-4-amine N-(5-chloro-2-nitro-phenyl)tetra…

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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) 3.94 7.85 -5.22 1 4 0 58 272.757 3 ↓

Analogs

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Popular Name: N-(2-chloro-4-nitro-phenyl)tetrahydrothiopyran-4-amine N-(2-chloro-4-nitro-phenyl)tetra…

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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) 3.94 7.67 -7.3 1 4 0 58 272.757 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-nitro-phenyl)tetrahydrothiopyran-4-amine N-(4-chloro-2-nitro-phenyl)tetra…

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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) 3.94 7.85 -6.9 1 4 0 58 272.757 3 ↓

Analogs

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Popular Name: N-[5-(dimethylaminomethyl)-2-methoxy-phenyl]tetrahydrothiopyran-4-amine N-[5-(dimethylaminomethyl)-2-met…

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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) 3.17 7.67 -38.7 2 3 1 26 281.445 5 ↓

Analogs

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Popular Name: N-[4-(2,2,2-trifluoroethoxy)phenyl]tetrahydrothiopyran-4-amine N-[4-(2,2,2-trifluoroethoxy)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) 4.36 7.05 -5.59 1 2 0 21 291.338 5 ↓

Analogs

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Popular Name: 2-chloro-5-(tetrahydrothiopyran-4-ylamino)benzonitrile 2-chloro-5-(tetrahydrothiopyran-…

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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) 3.74 7.17 -7.08 1 2 0 36 252.77 2 ↓

Analogs

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Popular Name: 4-(tetrahydrothiopyran-4-ylamino)-3-(trifluoromethyl)benzonitrile 4-(tetrahydrothiopyran-4-ylamino…

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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) 3.96 7.97 -7.11 1 2 0 36 286.322 3 ↓

Analogs

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Popular Name: N-(2-propylphenyl)tetrahydrothiopyran-4-amine N-(2-propylphenyl)tetrahydrothio…

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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) 4.63 8.68 -2.57 1 1 0 12 235.396 4 ↓

Analogs

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Popular Name: N-[4-(trifluoromethylsulfanyl)phenyl]tetrahydrothiopyran-4-amine N-[4-(trifluoromethylsulfanyl)ph…

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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) 7.36 7.86 -3.64 1 1 0 12 293.379 4 ↓

Analogs

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Popular Name: N-[4-(tetrahydrothiopyran-4-ylamino)phenyl]propanamide N-[4-(tetrahydrothiopyran-4-ylam…

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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) 3.43 6.08 -9.44 2 3 0 41 264.394 4 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[4-(tetrahydrothiopyran-4-ylamino)phenyl]acetamide N,N-dimethyl-2-[4-(tetrahydrothi…

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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) 2.47 7.27 -10.21 1 3 0 32 278.421 4 ↓

Analogs

37780449
37780449

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Popular Name: N-[3-(2-dimethylaminoethyloxy)phenyl]tetrahydrothiopyran-4-amine N-[3-(2-dimethylaminoethyloxy)ph…

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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) 3.44 8.05 -35.34 2 3 1 26 281.445 6 ↓
Hi High (pH 8-9.5) 3.44 5.52 -4.96 1 3 0 24 280.437 6 ↓

Analogs

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Popular Name: 4-chloro-N-methyl-3-(tetrahydrothiopyran-4-ylamino)benzamide 4-chloro-N-methyl-3-(tetrahydrot…

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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) 3.18 5.24 -8.37 2 3 0 41 284.812 3 ↓

Analogs

37777682
37777682
37780449
37780449

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Popular Name: 2-[3-(tetrahydrothiopyran-4-ylamino)phenoxy]acetonitrile 2-[3-(tetrahydrothiopyran-4-ylam…

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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) 3.20 6.37 -8.96 1 3 0 45 248.351 4 ↓

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)tetrahydrothiopyran-4-amine N-(4-chloro-3-fluoro-phenyl)tetr…

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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) 4.15 6.93 -4.81 1 1 0 12 245.75 2 ↓

Analogs

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Popular Name: 2-[4-(tetrahydrothiopyran-4-ylamino)phenyl]acetonitrile 2-[4-(tetrahydrothiopyran-4-ylam…

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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) 3.34 7.54 -8.22 1 2 0 36 232.352 3 ↓

Analogs

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Popular Name: 2-[2-(tetrahydrothiopyran-4-ylamino)phenyl]sulfanylacetamide 2-[2-(tetrahydrothiopyran-4-ylam…

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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) 2.50 4.41 -10.38 3 3 0 55 282.434 5 ↓

Analogs

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Popular Name: 3-bromo-4-(tetrahydrothiopyran-4-ylamino)benzonitrile 3-bromo-4-(tetrahydrothiopyran-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) 3.87 7.46 -6.24 1 2 0 36 297.221 2 ↓

Analogs

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Popular Name: 2-[4-(tetrahydrothiopyran-4-ylamino)phenyl]acetamide 2-[4-(tetrahydrothiopyran-4-ylam…

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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 3.84 -9.8 3 3 0 55 250.367 4 ↓

Analogs

45032381
45032381

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Popular Name: N-methyl-N-[[3-(tetrahydrothiopyran-4-ylamino)phenyl]methyl]acetamide N-methyl-N-[[3-(tetrahydrothiopy…

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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 7.49 -10.03 1 3 0 32 278.421 4 ↓

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)tetrahydrothiopyran-4-amine N-(2-methylsulfonylphenyl)tetrah…

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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 4.34 -10.8 1 3 0 46 271.407 3 ↓

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)tetrahydrothiopyran-4-amine N-(2,4-difluoro-5-nitro-phenyl)t…

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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) 3.52 7.18 -6.62 1 4 0 58 274.292 3 ↓

Analogs

37784880
37784880

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Popular Name: N-[4-(tetrahydrothiopyran-4-ylamino)phenyl]methanesulfonamide N-[4-(tetrahydrothiopyran-4-ylam…

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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 2.98 -11.41 2 4 0 58 286.422 4 ↓

Analogs

44880418
44880418

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Popular Name: N,N-dimethyl-3-(tetrahydrothiopyran-4-ylamino)benzamide N,N-dimethyl-3-(tetrahydrothiopy…

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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) 2.32 6.2 -9.93 1 3 0 32 264.394 3 ↓

Analogs

45019005
45019005

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Popular Name: 2-methyl-N-[3-(tetrahydrothiopyran-4-ylamino)phenyl]propanamide 2-methyl-N-[3-(tetrahydrothiopyr…

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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) 3.65 6.73 -8.45 2 3 0 41 278.421 4 ↓

Analogs

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Popular Name: N-[2-(difluoromethylsulfonyl)phenyl]tetrahydrothiopyran-4-amine N-[2-(difluoromethylsulfonyl)phe…

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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) 3.20 5.02 -8.81 1 3 0 46 307.387 4 ↓

Analogs

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Popular Name: N,4-dimethyl-3-(tetrahydrothiopyran-4-ylamino)benzamide N,4-dimethyl-3-(tetrahydrothiopy…

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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) 2.95 5.42 -9.72 2 3 0 41 264.394 3 ↓

Analogs

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Popular Name: N-[3-(diethylaminomethyl)phenyl]tetrahydrothiopyran-4-amine N-[3-(diethylaminomethyl)phenyl]…

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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) 3.91 9.62 -33.21 2 2 1 16 279.473 6 ↓

Analogs

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Popular Name: 4-methyl-3-(tetrahydrothiopyran-4-ylamino)benzoic 4-methyl-3-(tetrahydrothiopyran-…

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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) 3.67 7.71 -52.64 1 3 -1 52 250.343 3 ↓

Analogs

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Popular Name: 2-fluoro-5-(tetrahydrothiopyran-4-ylamino)benzoic 2-fluoro-5-(tetrahydrothiopyran-…

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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) 3.04 6.95 -52.58 1 3 -1 52 254.306 3 ↓

Analogs

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Popular Name: 4-fluoro-3-(tetrahydrothiopyran-4-ylamino)benzoic 4-fluoro-3-(tetrahydrothiopyran-…

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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) 3.38 7.03 -44.66 1 3 -1 52 254.306 3 ↓

Analogs

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Popular Name: 3-fluoro-4-methyl-5-(tetrahydrothiopyran-4-ylamino)benzonitrile 3-fluoro-4-methyl-5-(tetrahydrot…

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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) 3.60 7.58 -5.61 1 2 0 36 250.342 2 ↓

Analogs

37779812
37779812
37783612
37783612

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Popular Name: N-ethyl-4-(tetrahydrothiopyran-4-ylamino)benzamide N-ethyl-4-(tetrahydrothiopyran-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) 2.95 5.47 -9.87 2 3 0 41 264.394 4 ↓

Analogs

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Popular Name: N-[2-(diethylaminomethyl)phenyl]tetrahydrothiopyran-4-amine N-[2-(diethylaminomethyl)phenyl]…

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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) 3.89 9.94 -34.37 2 2 1 16 279.473 6 ↓

Analogs

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Popular Name: N-(5-bromo-2-methylphenyl)thian-4-amine N-(5-bromo-2-methylphenyl)thian-…

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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) 4.56 7.78 -3.23 1 1 0 12 286.238 2 ↓

Analogs

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Popular Name: 3-[2-(tetrahydrothiopyran-4-ylamino)phenoxy]propanamide 3-[2-(tetrahydrothiopyran-4-ylam…

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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) 2.39 3.6 -9.33 3 4 0 64 280.393 6 ↓

Analogs

37780449
37780449

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Popular Name: N-(3-ethoxy-4-methoxy-phenyl)tetrahydrothiopyran-4-amine N-(3-ethoxy-4-methoxy-phenyl)tet…

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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) 3.40 6.49 -6.98 1 3 0 30 267.394 5 ↓

Analogs

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Popular Name: N-(2-ethoxy-4-fluoro-phenyl)tetrahydrothiopyran-4-amine N-(2-ethoxy-4-fluoro-phenyl)tetr…

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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) 3.90 6.77 -4.02 1 2 0 21 255.358 4 ↓

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) 3.08 4.57 -7.92 2 4 0 50 266.366 4 ↓

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) 3.93 7.78 -7.49 1 3 0 38 265.378 4 ↓

Analogs

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Popular Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]tetrahydrothiopyran-4-amine N-[3-(difluoromethoxy)-4-methoxy…

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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 5.85 -8.05 1 3 0 30 289.347 5 ↓

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) 3.39 7.13 -7.51 1 3 0 38 287.331 4 ↓

Analogs

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Popular Name: N-[2-fluoro-5-(tetrahydrothiopyran-4-ylamino)phenyl]methanesulfonamide N-[2-fluoro-5-(tetrahydrothiopyr…

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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) 2.70 3.14 -10.48 2 4 0 58 304.412 4 ↓
Hi High (pH 8-9.5) 2.70 3.34 -44.81 1 4 -1 60 303.404 4 ↓

Analogs

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Popular Name: N-[2-methyl-3-(tetrahydrothiopyran-4-ylamino)phenyl]propanamide N-[2-methyl-3-(tetrahydrothiopyr…

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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) 3.79 7.06 -9.55 2 3 0 41 278.421 4 ↓

Analogs

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Popular Name: N-(4-ethyl-3-nitro-phenyl)tetrahydrothiopyran-4-amine N-(4-ethyl-3-nitro-phenyl)tetrah…

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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) 4.18 8.23 -7.74 1 4 0 58 266.366 4 ↓

Analogs

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Popular Name: N-(2-chloro-4-iodo-phenyl)tetrahydrothiopyran-4-amine N-(2-chloro-4-iodo-phenyl)tetrah…

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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) 5.07 8.05 -2.7 1 1 0 12 353.656 2 ↓

Analogs

37781860
37781860

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Popular Name: N-[4-(2-methoxyethoxy)phenyl]tetrahydrothiopyran-4-amine N-[4-(2-methoxyethoxy)phenyl]tet…

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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) 3.32 5.85 -6.31 1 3 0 30 267.394 6 ↓

Parameters Provided:

ring.id = 66781
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 = 66781 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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