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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)-1,1-dioxo-N-(3-phenylpropyl)thian-3-amine (3R)-1,1-dioxo-N-(3-phenylpropyl…

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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) 2.21 5.23 -58.03 2 3 1 51 268.402 5 ↓
Hi High (pH 8-9.5) 2.21 4.05 -11.21 1 3 0 46 267.394 5 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-(3-phenylpropyl)thian-3-amine (3S)-1,1-dioxo-N-(3-phenylpropyl…

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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) 2.21 5.24 -58.03 2 3 1 51 268.402 5 ↓
Hi High (pH 8-9.5) 2.21 4.04 -12.09 1 3 0 46 267.394 5 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-methyl-3-phenyl-propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-methyl-3-phenyl-p…

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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) 2.54 5.83 -57.11 2 3 1 51 282.429 5 ↓
Hi High (pH 8-9.5) 2.54 4.61 -11.08 1 3 0 46 281.421 5 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-methyl-3-phenyl-propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-methyl-3-phenyl-p…

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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) 2.54 5.79 -57.28 2 3 1 51 282.429 5 ↓
Hi High (pH 8-9.5) 2.54 4.92 -11.09 1 3 0 46 281.421 5 ↓

Analogs

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

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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) 2.54 5.8 -57.17 2 3 1 51 282.429 5 ↓
Hi High (pH 8-9.5) 2.54 4.78 -12.17 1 3 0 46 281.421 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-methyl-3-phenyl-propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-methyl-3-phenyl-p…

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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) 2.54 5.84 -57.12 2 3 1 51 282.429 5 ↓
Hi High (pH 8-9.5) 2.54 4.72 -12.1 1 3 0 46 281.421 5 ↓

Analogs

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Popular Name: 4-[(3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]butyl]phenol 4-[(3S)-3-[[(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) 2.06 2.98 -60.76 3 4 1 71 298.428 5 ↓
Hi High (pH 8-9.5) 2.06 1.76 -12.99 2 4 0 66 297.42 5 ↓

Analogs

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Popular Name: 4-[(3R)-3-[[(3R)-1,1-dioxothian-3-yl]amino]butyl]phenol 4-[(3R)-3-[[(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) 2.06 2.94 -60.84 3 4 1 71 298.428 5 ↓
Hi High (pH 8-9.5) 2.06 2.07 -13.07 2 4 0 66 297.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-3-[[(3S)-1,1-dioxothian-3-yl]amino]butyl]phenol 4-[(3S)-3-[[(3S)-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) 2.06 2.94 -60.88 3 4 1 71 298.428 5 ↓
Hi High (pH 8-9.5) 2.06 1.93 -14.2 2 4 0 66 297.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-3-[[(3S)-1,1-dioxothian-3-yl]amino]butyl]phenol 4-[(3R)-3-[[(3S)-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) 2.06 2.98 -60.75 3 4 1 71 298.428 5 ↓
Hi High (pH 8-9.5) 2.06 1.87 -13.84 2 4 0 66 297.42 5 ↓

Analogs

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

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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) 2.76 5.57 -58.65 2 3 1 51 282.429 5 ↓
Hi High (pH 8-9.5) 2.76 4.39 -11.05 1 3 0 46 281.421 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.76 5.57 -58.87 2 3 1 51 282.429 5 ↓
Hi High (pH 8-9.5) 2.76 4.4 -11.16 1 3 0 46 281.421 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.76 5.57 -58.91 2 3 1 51 282.429 5 ↓
Hi High (pH 8-9.5) 2.76 4.4 -12.2 1 3 0 46 281.421 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.76 5.57 -58.7 2 3 1 51 282.429 5 ↓
Hi High (pH 8-9.5) 2.76 4.39 -11.71 1 3 0 46 281.421 5 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-3-(4-methoxyphenyl)…

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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) 2.60 5.13 -60.32 2 4 1 60 312.455 6 ↓
Hi High (pH 8-9.5) 2.60 3.91 -12.63 1 4 0 55 311.447 6 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-3-(4-methoxyphenyl)…

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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) 2.60 5.09 -60.02 2 4 1 60 312.455 6 ↓
Hi High (pH 8-9.5) 2.60 4.22 -12.75 1 4 0 55 311.447 6 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-3-(4-methoxyphenyl)…

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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) 2.60 5.1 -60.31 2 4 1 60 312.455 6 ↓
Hi High (pH 8-9.5) 2.60 4.08 -13.97 1 4 0 55 311.447 6 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-3-(4-methoxyphenyl)…

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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) 2.60 5.14 -59.79 2 4 1 60 312.455 6 ↓
Hi High (pH 8-9.5) 2.60 4.02 -13.53 1 4 0 55 311.447 6 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1,3-dimethyl-3-phenyl-butyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1,3-dimethyl-3-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) 3.26 6.04 -57.6 2 3 1 51 310.483 5 ↓
Hi High (pH 8-9.5) 3.26 5.81 -10.78 1 3 0 46 309.475 5 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1,3-dimethyl-3-phenyl-butyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1,3-dimethyl-3-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) 3.26 6.61 -54.73 2 3 1 51 310.483 5 ↓
Hi High (pH 8-9.5) 3.26 6.13 -11.53 1 3 0 46 309.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1,3-dimethyl-3-phenyl-butyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1,3-dimethyl-3-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) 3.26 6.58 -54.47 2 3 1 51 310.483 5 ↓
Hi High (pH 8-9.5) 3.26 5.37 -12 1 3 0 46 309.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1,3-dimethyl-3-phenyl-butyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1,3-dimethyl-3-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) 3.26 6.04 -57.67 2 3 1 51 310.483 5 ↓
Hi High (pH 8-9.5) 3.26 6.46 -11.92 1 3 0 46 309.475 5 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-methyl-3-(m-tolyl)propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-methyl-3-(m-tolyl…

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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) 2.96 6.46 -57.3 2 3 1 51 296.456 5 ↓
Hi High (pH 8-9.5) 2.96 5.59 -11.1 1 3 0 46 295.448 5 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-methyl-3-(m-tolyl)propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-methyl-3-(m-tolyl…

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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) 2.96 6.5 -57.02 2 3 1 51 296.456 5 ↓
Hi High (pH 8-9.5) 2.96 5.5 -11.09 1 3 0 46 295.448 5 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-methyl-3-(m-tolyl)propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-methyl-3-(m-tolyl…

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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) 2.96 6.5 -57.25 2 3 1 51 296.456 5 ↓
Hi High (pH 8-9.5) 2.96 5.34 -12.26 1 3 0 46 295.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.96 6.46 -57.2 2 3 1 51 296.456 5 ↓
Hi High (pH 8-9.5) 2.96 5.45 -12.3 1 3 0 46 295.448 5 ↓

Parameters Provided:

ring.id = 286365
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 286365 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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