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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[4-allyl-5-(2-chloroprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(5-methyl-2-furyl) N-[[4-allyl-5-(2-chloroprop-2-en…

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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) 2.79 3.59 -43.55 1 5 1 48 353.899 9 ↓

Analogs

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Popular Name: (1S)-1-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-nitro-2-furyl)methyl]ethanamine (1S)-1-(4-methyl-1,2,4-triazol-3…

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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) 0.42 5.19 -17.8 1 8 0 102 251.246 5 ↓
Lo Low (pH 4.5-6) 0.42 6.46 -59.49 2 8 1 106 252.254 5 ↓

Analogs

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Popular Name: (1R)-1-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-nitro-2-furyl)methyl]ethanamine (1R)-1-(4-methyl-1,2,4-triazol-3…

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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) 0.42 5.3 -18.5 1 8 0 102 251.246 5 ↓
Lo Low (pH 4.5-6) 0.42 6.47 -61.76 2 8 1 106 252.254 5 ↓

Analogs

37996967
37996967

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Popular Name: (1S)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1S)-N-[[5-(difluoromethylsulfan…

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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) 1.63 6.92 -14.63 1 5 0 56 302.35 7 ↓
Mid Mid (pH 6-8) 1.63 8.2 -48.54 2 5 1 60 303.358 7 ↓

Analogs

37996967
37996967

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Popular Name: (1R)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1R)-N-[[5-(difluoromethylsulfan…

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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) 1.63 7.03 -15.13 1 5 0 56 302.35 7 ↓
Mid Mid (pH 6-8) 1.63 8.2 -49.57 2 5 1 60 303.358 7 ↓

Analogs

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Popular Name: (1S)-N-[(5-iodo-2-furyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1S)-N-[(5-iodo-2-furyl)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) 1.55 5.69 -12.86 1 5 0 56 332.145 4 ↓
Mid Mid (pH 6-8) 1.55 6.96 -47.78 2 5 1 60 333.153 4 ↓

Analogs

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Popular Name: (1R)-N-[(5-iodo-2-furyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1R)-N-[(5-iodo-2-furyl)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) 1.55 5.8 -13.33 1 5 0 56 332.145 4 ↓
Mid Mid (pH 6-8) 1.55 6.96 -49.09 2 5 1 60 333.153 4 ↓

Analogs

37989089
37989089

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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) 0.32 6.13 -16.82 1 7 0 82 278.312 6 ↓
Mid Mid (pH 6-8) 0.32 7.28 -53.16 2 7 1 87 279.32 6 ↓

Analogs

37989089
37989089

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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) 0.32 6.01 -16.55 1 7 0 82 278.312 6 ↓
Mid Mid (pH 6-8) 0.32 7.29 -53.65 2 7 1 87 279.32 6 ↓

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) 0.41 5.29 -16.56 1 7 0 82 264.285 6 ↓
Mid Mid (pH 6-8) 0.41 6.56 -54.68 2 7 1 87 265.293 6 ↓

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) 0.41 5.4 -17.06 1 7 0 82 264.285 6 ↓
Mid Mid (pH 6-8) 0.41 6.57 -55.96 2 7 1 87 265.293 6 ↓

Analogs

37996978
37996978

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Popular Name: (1S)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1S)-N-[[5-(methylsulfanylmethyl…

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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) 1.07 7.82 -47.13 2 5 1 60 267.378 6 ↓
Mid Mid (pH 6-8) 1.07 6.54 -14.35 1 5 0 56 266.37 6 ↓

Analogs

37996978
37996978

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Popular Name: (1R)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1R)-N-[[5-(methylsulfanylmethyl…

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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) 1.07 7.81 -48.1 2 5 1 60 267.378 6 ↓
Mid Mid (pH 6-8) 1.07 6.65 -14.8 1 5 0 56 266.37 6 ↓

Parameters Provided:

ring.id = 85660
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 = 85660 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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