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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-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[1-(dimethylamino)cycloh…

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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) 1.89 3.53 -44.95 2 4 1 51 289.465 4 ↓
Hi High (pH 8-9.5) 1.89 1.05 -9.51 1 4 0 49 288.457 4 ↓
Mid Mid (pH 6-8) 1.89 4.68 -137.43 3 4 2 55 290.473 4 ↓

Analogs

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Popular Name: (3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3S)-N-[[1-(dimethylamino)cycloh…

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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) 1.89 3.55 -42.69 2 4 1 51 289.465 4 ↓
Hi High (pH 8-9.5) 1.89 1.09 -10.64 1 4 0 49 288.457 4 ↓
Mid Mid (pH 6-8) 1.89 4.64 -134.53 3 4 2 55 290.473 4 ↓

Analogs

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Popular Name: (3R)-N-[(4-ethylcyclohexyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(4-ethylcyclohexyl)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) 2.63 5.02 -56.58 2 3 1 51 274.45 4 ↓
Hi High (pH 8-9.5) 2.63 3.98 -9.49 1 3 0 46 273.442 4 ↓

Analogs

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Popular Name: (3S)-N-[(4-ethylcyclohexyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(4-ethylcyclohexyl)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) 2.63 5.03 -56.59 2 3 1 51 274.45 4 ↓
Hi High (pH 8-9.5) 2.63 3.98 -10.3 1 3 0 46 273.442 4 ↓

Analogs

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Popular Name: (3R)-N-[[(1R,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(1R,3R)-1-(dimethylamin…

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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) 1.90 5.64 -44.95 2 4 1 51 303.492 4 ↓
Mid Mid (pH 6-8) 1.90 5.87 -136.71 3 4 2 55 304.5 4 ↓
Mid Mid (pH 6-8) 1.90 4.14 -52.76 2 4 1 54 303.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(1R,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(1R,3S)-1-(dimethylamin…

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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) 1.90 4.12 -45.44 2 4 1 51 303.492 4 ↓
Mid Mid (pH 6-8) 1.90 3.16 -52.23 2 4 1 54 303.492 4 ↓
Mid Mid (pH 6-8) 1.90 5.3 -139.55 3 4 2 55 304.5 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(1S,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(1S,3R)-1-(dimethylamin…

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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) 1.90 4.15 -45.3 2 4 1 51 303.492 4 ↓
Mid Mid (pH 6-8) 1.90 5.3 -139.65 3 4 2 55 304.5 4 ↓
Mid Mid (pH 6-8) 1.90 3.16 -52.24 2 4 1 54 303.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(1S,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(1S,3S)-1-(dimethylamin…

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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) 1.90 4.54 -43.88 2 4 1 51 303.492 4 ↓
Mid Mid (pH 6-8) 1.90 5.49 -132.75 3 4 2 55 304.5 4 ↓
Mid Mid (pH 6-8) 1.90 3.94 -56.41 2 4 1 54 303.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(1S,2R)-2-methylcyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(1S,2R)-2-methylcyclohe…

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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) 2.42 4.25 -56.33 2 3 1 51 260.423 3 ↓
Hi High (pH 8-9.5) 2.42 3.05 -9.44 1 3 0 46 259.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(1S,2S)-2-methylcyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(1S,2S)-2-methylcyclohe…

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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) 2.42 4.47 -56.02 2 3 1 51 260.423 3 ↓
Hi High (pH 8-9.5) 2.42 3.29 -9.55 1 3 0 46 259.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(1R,2R)-2-methylcyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(1R,2R)-2-methylcyclohe…

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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) 2.42 4.48 -55.97 2 3 1 51 260.423 3 ↓
Hi High (pH 8-9.5) 2.42 3.43 -9.4 1 3 0 46 259.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(1R,2S)-2-methylcyclohexyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(1R,2S)-2-methylcyclohe…

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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) 2.42 4.25 -56.15 2 3 1 51 260.423 3 ↓
Hi High (pH 8-9.5) 2.42 3.22 -9.49 1 3 0 46 259.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-cyclohexylethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-cyclohexylethyl]-…

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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) 2.51 4.41 -52.91 2 3 1 51 260.423 3 ↓
Hi High (pH 8-9.5) 2.51 3.36 -9.29 1 3 0 46 259.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-cyclohexylethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-cyclohexylethyl]-…

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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) 2.51 4.39 -52.79 2 3 1 51 260.423 3 ↓
Hi High (pH 8-9.5) 2.51 3.57 -9.39 1 3 0 46 259.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-cyclohexylethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-cyclohexylethyl]-…

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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) 2.51 4.3 -53.49 2 3 1 51 260.423 3 ↓
Hi High (pH 8-9.5) 2.51 3.42 -10.3 1 3 0 46 259.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-cyclohexylethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-cyclohexylethyl]-…

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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) 2.51 4.43 -52.88 2 3 1 51 260.423 3 ↓
Hi High (pH 8-9.5) 2.51 3.69 -10.49 1 3 0 46 259.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-cyclohexylpropyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-cyclohexylpropyl]…

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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 5.05 -52.23 2 3 1 51 274.45 4 ↓
Hi High (pH 8-9.5) 3.04 4.22 -9.46 1 3 0 46 273.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-cyclohexylpropyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-cyclohexylpropyl]…

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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 4.71 -54.1 2 3 1 51 274.45 4 ↓
Hi High (pH 8-9.5) 3.04 4.05 -9.21 1 3 0 46 273.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-cyclohexylpropyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-cyclohexylpropyl]…

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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 4.89 -53.72 2 3 1 51 274.45 4 ↓
Hi High (pH 8-9.5) 3.04 4.14 -10.23 1 3 0 46 273.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-cyclohexylpropyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-cyclohexylpropyl]…

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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 5.03 -52.31 2 3 1 51 274.45 4 ↓
Hi High (pH 8-9.5) 3.04 4.14 -10.39 1 3 0 46 273.442 4 ↓

Analogs

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

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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) 1.30 2.28 -46.5 3 4 1 65 289.465 4 ↓
Hi High (pH 8-9.5) 1.30 1.88 -9.12 2 4 0 63 288.457 4 ↓
Lo Low (pH 4.5-6) 1.30 3.84 -134.28 4 4 2 66 290.473 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.30 2.04 -51.63 3 4 1 65 289.465 4 ↓
Hi High (pH 8-9.5) 1.30 1.51 -8.74 2 4 0 63 288.457 4 ↓
Lo Low (pH 4.5-6) 1.30 3.55 -141.26 4 4 2 66 290.473 4 ↓

Parameters Provided:

ring.id = 286348
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 = 286348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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