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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-N-[2-(3-methoxyphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(3-methoxyphenyl)sulfa…

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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) 1.71 3.56 -67.52 2 4 1 60 302.441 6 ↓
Mid Mid (pH 6-8) 1.71 2.39 -14.43 1 4 0 55 301.433 6 ↓

Analogs

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Popular Name: (3S)-N-[2-(3-methoxyphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(3-methoxyphenyl)sulfa…

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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) 1.71 3.57 -67.53 2 4 1 60 302.441 6 ↓
Mid Mid (pH 6-8) 1.71 2.42 -14.99 1 4 0 55 301.433 6 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-isopropylphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-isopropylphenyl)sul…

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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) 3.19 6.18 -64.15 2 3 1 51 314.496 6 ↓
Mid Mid (pH 6-8) 3.19 5.02 -12.11 1 3 0 46 313.488 6 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-isopropylphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-isopropylphenyl)sul…

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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) 3.19 6.19 -64.21 2 3 1 51 314.496 6 ↓
Mid Mid (pH 6-8) 3.19 5.05 -12.73 1 3 0 46 313.488 6 ↓

Analogs

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Popular Name: (3R)-N-[2-(2-chlorophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2-chlorophenyl)sulfan…

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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) 2.31 4.72 -66.44 2 3 1 51 306.86 5 ↓
Mid Mid (pH 6-8) 2.31 3.56 -13.58 1 3 0 46 305.852 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(2-chlorophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2-chlorophenyl)sulfan…

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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) 2.31 4.73 -66.36 2 3 1 51 306.86 5 ↓
Mid Mid (pH 6-8) 2.31 3.59 -14.08 1 3 0 46 305.852 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(2,4-dimethylphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2,4-dimethylphenyl)su…

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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 5.51 -64.28 2 3 1 51 300.469 5 ↓
Mid Mid (pH 6-8) 2.50 4.35 -12.48 1 3 0 46 299.461 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(2,4-dimethylphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2,4-dimethylphenyl)su…

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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 5.52 -64.37 2 3 1 51 300.469 5 ↓
Mid Mid (pH 6-8) 2.50 4.38 -13.15 1 3 0 46 299.461 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-methoxyphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-methoxyphenyl)sulfa…

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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) 1.73 3.55 -66.28 2 4 1 60 302.441 6 ↓
Mid Mid (pH 6-8) 1.73 2.38 -13.6 1 4 0 55 301.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-methoxyphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-methoxyphenyl)sulfa…

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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) 1.73 3.57 -66.34 2 4 1 60 302.441 6 ↓
Mid Mid (pH 6-8) 1.73 2.41 -14.19 1 4 0 55 301.433 6 ↓

Analogs

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Popular Name: (3R)-N-[2-(2,5-dimethylphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2,5-dimethylphenyl)su…

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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 5.51 -64.51 2 3 1 51 300.469 5 ↓
Mid Mid (pH 6-8) 2.50 4.35 -12.53 1 3 0 46 299.461 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2,5-dimethylphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2,5-dimethylphenyl)su…

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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 5.52 -64.54 2 3 1 51 300.469 5 ↓
Mid Mid (pH 6-8) 2.50 4.38 -13.21 1 3 0 46 299.461 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-tert-butylphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-tert-butylphenyl)su…

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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 6.58 -64.22 2 3 1 51 328.523 6 ↓
Mid Mid (pH 6-8) 3.38 5.42 -12.06 1 3 0 46 327.515 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-tert-butylphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4-tert-butylphenyl)su…

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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 6.6 -64.22 2 3 1 51 328.523 6 ↓
Mid Mid (pH 6-8) 3.38 5.45 -12.68 1 3 0 46 327.515 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(3,4-difluorophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(3,4-difluorophenyl)su…

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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) 1.93 4.38 -69.13 2 3 1 51 308.395 5 ↓
Mid Mid (pH 6-8) 1.93 3.21 -13.95 1 3 0 46 307.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(3,4-difluorophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(3,4-difluorophenyl)su…

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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) 1.93 4.4 -69.26 2 3 1 51 308.395 5 ↓
Mid Mid (pH 6-8) 1.93 3.24 -14.76 1 3 0 46 307.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2,4-difluorophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2,4-difluorophenyl)su…

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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) 1.93 4.38 -70.69 2 3 1 51 308.395 5 ↓
Mid Mid (pH 6-8) 1.93 3.2 -14.1 1 3 0 46 307.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2,4-difluorophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2,4-difluorophenyl)su…

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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) 1.93 4.39 -70.67 2 3 1 51 308.395 5 ↓
Mid Mid (pH 6-8) 1.93 3.24 -14.58 1 3 0 46 307.387 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(2-bromophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2-bromophenyl)sulfany…

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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) 2.44 4.82 -66.43 2 3 1 51 351.311 5 ↓
Mid Mid (pH 6-8) 2.44 3.65 -13.49 1 3 0 46 350.303 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(2-bromophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2-bromophenyl)sulfany…

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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) 2.44 4.83 -66.31 2 3 1 51 351.311 5 ↓
Mid Mid (pH 6-8) 2.44 3.69 -14 1 3 0 46 350.303 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(2,5-difluorophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2,5-difluorophenyl)su…

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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) 1.93 4.38 -66.77 2 3 1 51 308.395 5 ↓
Mid Mid (pH 6-8) 1.93 3.21 -13.43 1 3 0 46 307.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2,5-difluorophenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2,5-difluorophenyl)su…

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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) 1.93 4.39 -66.75 2 3 1 51 308.395 5 ↓
Mid Mid (pH 6-8) 1.93 3.25 -14.02 1 3 0 46 307.387 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(o-tolylsulfanyl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(o-tolylsulfanyl)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) 2.08 4.84 -64.36 2 3 1 51 286.442 5 ↓
Mid Mid (pH 6-8) 2.08 3.68 -12.53 1 3 0 46 285.434 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(o-tolylsulfanyl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(o-tolylsulfanyl)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) 2.08 4.86 -64.42 2 3 1 51 286.442 5 ↓
Mid Mid (pH 6-8) 2.08 3.71 -13.16 1 3 0 46 285.434 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(m-tolylsulfanyl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(m-tolylsulfanyl)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) 2.10 4.93 -64.48 2 3 1 51 286.442 5 ↓
Mid Mid (pH 6-8) 2.10 3.76 -12.63 1 3 0 46 285.434 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(m-tolylsulfanyl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(m-tolylsulfanyl)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) 2.10 4.94 -64.56 2 3 1 51 286.442 5 ↓
Mid Mid (pH 6-8) 2.10 3.8 -13.22 1 3 0 46 285.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2-methoxyphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2-methoxyphenyl)sulfa…

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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) 1.68 3.6 -65.58 2 4 1 60 302.441 6 ↓
Mid Mid (pH 6-8) 1.68 2.44 -14.76 1 4 0 55 301.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2-methoxyphenyl)sulfanylethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2-methoxyphenyl)sulfa…

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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) 1.68 3.62 -65.58 2 4 1 60 302.441 6 ↓
Mid Mid (pH 6-8) 1.68 2.47 -15.25 1 4 0 55 301.433 6 ↓

Parameters Provided:

ring.id = 93861
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 = 93861 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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