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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-[3-(cyclohexoxy)propyl]-1,1-dioxo-thian-3-amine (3R)-N-[3-(cyclohexoxy)propyl]-1…

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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) 2.05 4.14 -55.95 2 4 1 60 290.449 6 ↓
Hi High (pH 8-9.5) 2.05 2.95 -10.93 1 4 0 55 289.441 6 ↓

Analogs

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

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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) 2.05 4.15 -56.02 2 4 1 60 290.449 6 ↓
Hi High (pH 8-9.5) 2.05 2.96 -11.81 1 4 0 55 289.441 6 ↓

Analogs

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

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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) 1.13 1.1 -57.75 3 5 1 80 306.448 6 ↓
Mid Mid (pH 6-8) 1.13 -0.08 -12.82 2 5 0 76 305.44 6 ↓

Analogs

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

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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) 1.13 1.14 -57.57 3 5 1 80 306.448 6 ↓
Mid Mid (pH 6-8) 1.13 -0.09 -13.01 2 5 0 76 305.44 6 ↓

Analogs

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

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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) 1.13 1.11 -57.61 3 5 1 80 306.448 6 ↓
Mid Mid (pH 6-8) 1.13 -0.07 -13.67 2 5 0 76 305.44 6 ↓

Analogs

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Popular Name: (2S)-1-(cyclohexoxy)-3-[[(3S)-1,1-dioxothian-3-yl]amino]propan-2-ol (2S)-1-(cyclohexoxy)-3-[[(3S)-1,…

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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) 1.13 1.15 -57.67 3 5 1 80 306.448 6 ↓
Mid Mid (pH 6-8) 1.13 -0.09 -13.69 2 5 0 76 305.44 6 ↓

Analogs

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Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[(1S,2R)-2-methylcyclohexoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 1.37 1.93 -57.34 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 1.37 0.72 -12.33 2 5 0 76 319.467 6 ↓

Analogs

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Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[(1S,2S)-2-methylcyclohexoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 1.37 1.78 -57.55 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 1.37 0.59 -12.54 2 5 0 76 319.467 6 ↓

Analogs

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Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[(1R,2R)-2-methylcyclohexoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 1.37 1.78 -57.68 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 1.37 0.59 -12.57 2 5 0 76 319.467 6 ↓

Analogs

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Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[(1R,2S)-2-methylcyclohexoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 1.37 1.92 -57.36 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 1.37 0.73 -12.34 2 5 0 76 319.467 6 ↓

Analogs

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Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-(4-methylcyclohexoxy)propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 0.90 1.85 -57.35 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 0.90 0.64 -12.57 2 5 0 76 319.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-(4-methylcyclohexoxy)propan-2-ol (2S)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 0.90 1.75 -57.66 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 0.90 0.51 -12.9 2 5 0 76 319.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3S)-1,1-dioxothian-3-yl]amino]-3-(4-methylcyclohexoxy)propan-2-ol (2R)-1-[[(3S)-1,1-dioxothian-3-y…

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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) 0.90 1.72 -57.63 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 0.90 0.54 -13.65 2 5 0 76 319.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(3S)-1,1-dioxothian-3-yl]amino]-3-(4-methylcyclohexoxy)propan-2-ol (2S)-1-[[(3S)-1,1-dioxothian-3-y…

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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) 0.90 1.87 -57.32 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 0.90 0.64 -13.36 2 5 0 76 319.467 6 ↓

Analogs

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Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[(1S,3R)-3-methylcyclohexoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 1.14 1.72 -57.72 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 1.14 0.53 -12.77 2 5 0 76 319.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[(1S,3S)-3-methylcyclohexoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 1.14 1.87 -57.47 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 1.14 0.66 -12.58 2 5 0 76 319.467 6 ↓

Analogs

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Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[(1R,3R)-3-methylcyclohexoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 1.14 1.86 -57.35 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 1.14 0.66 -12.56 2 5 0 76 319.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[(1R,3S)-3-methylcyclohexoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) 1.14 1.72 -57.78 3 5 1 80 320.475 6 ↓
Mid Mid (pH 6-8) 1.14 0.53 -12.77 2 5 0 76 319.467 6 ↓

Parameters Provided:

ring.id = 286465
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 = 286465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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