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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: (3S)-3-(cycloheptylamino)-1,1-dioxo-thiane-3-carboxylic (3S)-3-(cycloheptylamino)-1,1-di…

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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) -0.36 4.33 -34.92 2 5 0 91 289.397 3 ↓
Hi High (pH 8-9.5) -0.36 3.63 -49.19 1 5 -1 86 288.389 3 ↓

Analogs

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Popular Name: (3R)-3-(cycloheptylamino)-1,1-dioxo-thiane-3-carboxylic (3R)-3-(cycloheptylamino)-1,1-di…

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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) -0.36 4.3 -33.65 2 5 0 91 289.397 3 ↓
Hi High (pH 8-9.5) -0.36 3.24 -50.36 1 5 -1 86 288.389 3 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-cycloheptyl-N-methyl-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-cyclohept…

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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 1.27 -51.14 3 4 1 65 289.465 3 ↓
Hi High (pH 8-9.5) 1.42 0.91 -8.32 2 4 0 63 288.457 3 ↓
Mid Mid (pH 6-8) 1.42 2.47 -42.91 3 4 1 65 289.465 3 ↓

Analogs

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Popular Name: (3R)-3-(aminomethyl)-N-cycloheptyl-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(aminomethyl)-N-cyclohept…

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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 1.25 -51.12 3 4 1 65 289.465 3 ↓
Hi High (pH 8-9.5) 1.42 0.51 -9.52 2 4 0 63 288.457 3 ↓
Mid Mid (pH 6-8) 1.42 2.54 -44.5 3 4 1 65 289.465 3 ↓

Analogs

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Popular Name: (3S)-3-(cycloheptylamino)-1,1-dioxo-thiane-3-carbonitrile (3S)-3-(cycloheptylamino)-1,1-di…

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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 2.28 -17.42 1 4 0 70 270.398 2 ↓
Lo Low (pH 4.5-6) 2.15 3.17 -65.81 2 4 1 75 271.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(cycloheptylamino)-1,1-dioxo-thiane-3-carbonitrile (3R)-3-(cycloheptylamino)-1,1-di…

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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 2.29 -20.08 1 4 0 70 270.398 2 ↓
Lo Low (pH 4.5-6) 2.15 3.18 -66.38 2 4 1 75 271.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(cycloheptylamino)-1,1-dioxo-thiane-3-carboxamide (3S)-3-(cycloheptylamino)-1,1-di…

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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) 1.10 0.36 -57.09 4 5 1 94 289.421 3 ↓
Mid Mid (pH 6-8) 1.10 0.29 -19.98 3 5 0 89 288.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(cycloheptylamino)-1,1-dioxo-thiane-3-carboxamide (3R)-3-(cycloheptylamino)-1,1-di…

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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) 1.10 1.18 -59.02 4 5 1 94 289.421 3 ↓
Mid Mid (pH 6-8) 1.10 0.31 -17.54 3 5 0 89 288.413 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) 2.23 3.93 -10.68 1 5 0 72 303.424 4 ↓
Lo Low (pH 4.5-6) 2.23 4.52 -39.69 2 5 1 77 304.432 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) 2.23 4.19 -12.06 1 5 0 72 303.424 4 ↓
Lo Low (pH 4.5-6) 2.23 4.76 -41.47 2 5 1 77 304.432 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) 2.61 4.85 -10.44 1 5 0 72 317.451 5 ↓
Mid Mid (pH 6-8) 2.61 5.43 -39.19 2 5 1 77 318.459 5 ↓

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) 2.61 5.09 -11.85 1 5 0 72 317.451 5 ↓
Mid Mid (pH 6-8) 2.61 5.74 -40.86 2 5 1 77 318.459 5 ↓

Analogs

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Popular Name: [(3S)-3-(cycloheptylamino)-1,1-dioxo-thian-3-yl]methanol [(3S)-3-(cycloheptylamino)-1,1-d…

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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) 1.74 1.1 -41.37 3 4 1 71 276.422 3 ↓
Hi High (pH 8-9.5) 1.74 0.49 -10.67 2 4 0 66 275.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(cycloheptylamino)-1,1-dioxo-thian-3-yl]methanol [(3R)-3-(cycloheptylamino)-1,1-d…

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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) 1.74 1.08 -41.44 3 4 1 71 276.422 3 ↓
Hi High (pH 8-9.5) 1.74 1.27 -9.8 2 4 0 66 275.414 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(3R)-1,1-dioxothian-3-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(3R)-1,1-dioxothian-…

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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) 1.95 3.78 -59.72 2 4 1 75 271.406 2 ↓
Mid Mid (pH 6-8) 1.95 2.91 -14.7 1 4 0 70 270.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(3R)-1,1-dioxothian-3-yl]amino]cycloheptanecarbonitrile (1R,2R)-2-[[(3R)-1,1-dioxothian-…

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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) 1.95 3.84 -53.01 2 4 1 75 271.406 2 ↓
Mid Mid (pH 6-8) 1.95 3.2 -13.25 1 4 0 70 270.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(3R)-1,1-dioxothian-3-yl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(3R)-1,1-dioxothian-…

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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) 1.95 3.87 -52.31 2 4 1 75 271.406 2 ↓
Mid Mid (pH 6-8) 1.95 2.53 -14.71 1 4 0 70 270.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[(3R)-1,1-dioxothian-3-yl]amino]cycloheptanecarbonitrile (1R,2S)-2-[[(3R)-1,1-dioxothian-…

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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) 1.95 3.65 -59.86 2 4 1 75 271.406 2 ↓
Mid Mid (pH 6-8) 1.95 2.73 -14.15 1 4 0 70 270.398 2 ↓

Analogs

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Popular Name: (1R,2S)-2-[[(3R)-1,1-dioxothian-3-yl]amino]cycloheptanol (1R,2S)-2-[[(3R)-1,1-dioxothian-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 0.49 -50.48 3 4 1 71 262.395 2 ↓
Hi High (pH 8-9.5) 1.15 -0.49 -10.42 2 4 0 66 261.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(3R)-1,1-dioxothian-3-yl]amino]cycloheptanol (1R,2R)-2-[[(3R)-1,1-dioxothian-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 0.61 -47.7 3 4 1 71 262.395 2 ↓
Hi High (pH 8-9.5) 1.15 -0.32 -10.56 2 4 0 66 261.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(3R)-1,1-dioxothian-3-yl]amino]cycloheptanol (1S,2S)-2-[[(3R)-1,1-dioxothian-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 0.64 -47.82 3 4 1 71 262.395 2 ↓
Hi High (pH 8-9.5) 1.15 -0.36 -10.44 2 4 0 66 261.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(3R)-1,1-dioxothian-3-yl]amino]cycloheptanol (1S,2R)-2-[[(3R)-1,1-dioxothian-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 0.52 -49.46 3 4 1 71 262.395 2 ↓
Hi High (pH 8-9.5) 1.15 -0.52 -10.81 2 4 0 66 261.387 2 ↓

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