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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: (2S)-2-amino-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2S)-2-amino-3-[(4-methyl-1,2,4-…

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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) 1.23 6.5 -12.46 2 5 0 81 259.338 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2R)-2-amino-3-[(4-methyl-1,2,4-…

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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) 1.23 6.42 -12.95 2 5 0 81 259.338 4 ↓

Analogs

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Popular Name: (2R)-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2R)-2-(methylamino)-3-[(4-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) 1.60 7.16 -11.81 1 5 0 67 273.365 5 ↓
Lo Low (pH 4.5-6) 1.60 8.13 -49.87 2 5 1 71 274.373 5 ↓

Analogs

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Popular Name: (2S)-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2S)-2-(methylamino)-3-[(4-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) 1.60 7.07 -12.32 1 5 0 67 273.365 5 ↓
Lo Low (pH 4.5-6) 1.60 8.12 -49.66 2 5 1 71 274.373 5 ↓

Analogs

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Popular Name: (2R)-2-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2R)-2-(ethylamino)-3-[(4-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) 1.98 8.05 -11.39 1 5 0 67 287.392 6 ↓
Lo Low (pH 4.5-6) 1.98 8.95 -46.55 2 5 1 71 288.4 6 ↓

Analogs

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Popular Name: (2S)-2-(ethylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2S)-2-(ethylamino)-3-[(4-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) 1.98 7.96 -11.91 1 5 0 67 287.392 6 ↓
Lo Low (pH 4.5-6) 1.98 8.96 -46.5 2 5 1 71 288.4 6 ↓

Analogs

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Popular Name: (2R)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-2-(propylamino)propanenitrile (2R)-3-[(4-methyl-1,2,4-triazol-…

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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) 2.48 8.82 -11.32 1 5 0 67 301.419 7 ↓
Lo Low (pH 4.5-6) 2.48 9.71 -47.09 2 5 1 71 302.427 7 ↓

Analogs

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Popular Name: (2S)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-2-(propylamino)propanenitrile (2S)-3-[(4-methyl-1,2,4-triazol-…

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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) 2.48 8.72 -11.79 1 5 0 67 301.419 7 ↓
Lo Low (pH 4.5-6) 2.48 10.04 -47.74 2 5 1 71 302.427 7 ↓

Analogs

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Popular Name: (2R)-2-(isopropylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2R)-2-(isopropylamino)-3-[(4-me…

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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) 2.27 8.3 -11.64 1 5 0 67 301.419 6 ↓
Lo Low (pH 4.5-6) 2.27 9.24 -45.62 2 5 1 71 302.427 6 ↓

Analogs

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Popular Name: (2S)-2-(isopropylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2S)-2-(isopropylamino)-3-[(4-me…

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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) 2.27 8.32 -11.68 1 5 0 67 301.419 6 ↓
Lo Low (pH 4.5-6) 2.27 9.13 -46.79 2 5 1 71 302.427 6 ↓

Analogs

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Popular Name: 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]aniline 2-[2-[(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) 1.62 7.38 -11.52 2 4 0 57 234.328 4 ↓

Analogs

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Popular Name: 2-[(4-amino-5-phenethylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-acetamide 2-[(4-amino-5-phenethylsulfanyl-…

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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) 2.59 10 -12.41 2 6 0 77 365.528 9 ↓

Analogs

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Popular Name: N-[(4-isobutyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]propanamide N-[(4-isobutyl-5-phenethylsulfan…

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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) 3.17 -0.14 -11.62 1 5 0 60 346.5 9 ↓

Analogs

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Popular Name: (2S)-2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile (2S)-2-[(4-allyl-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) 3.05 11.71 -13.65 0 4 0 55 284.388 6 ↓

Analogs

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Popular Name: (2R)-2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-3-(p-tolyl)propanenitrile (2R)-2-[(4-allyl-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) 3.05 11.71 -13.9 0 4 0 55 284.388 6 ↓

Analogs

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Popular Name: 4-isopropyl-5-phenethylsulfanyl-1,2,4-triazol-3-amine 4-isopropyl-5-phenethylsulfanyl-…

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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) 2.72 10.13 -11.27 2 4 0 57 262.382 5 ↓

Analogs

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Popular Name: 4-isopropyl-5-[2-(4-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[2-(4-nitrophenyl)…

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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) 2.68 10.85 -16.39 2 7 0 103 307.379 6 ↓

Analogs

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Popular Name: (1R)-2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanol (1R)-2-[(5-amino-4-isopropyl-1,2…

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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) 1.73 7.02 -11.88 3 5 0 77 278.381 5 ↓

Analogs

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Popular Name: (1S)-2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanol (1S)-2-[(5-amino-4-isopropyl-1,2…

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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) 1.73 6.97 -11.95 3 5 0 77 278.381 5 ↓

Analogs

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Popular Name: (2R)-1-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propan-2-ol (2R)-1-[(5-amino-4-isopropyl-1,2…

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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) 2.32 7.3 -11.05 3 5 0 77 292.408 5 ↓

Analogs

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Popular Name: (2S)-1-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propan-2-ol (2S)-1-[(5-amino-4-isopropyl-1,2…

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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) 2.32 7.3 -11.03 3 5 0 77 292.408 5 ↓

Analogs

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Popular Name: 4-isopropyl-5-[2-(2-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[2-(2-nitrophenyl)…

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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 10.55 -17.57 2 7 0 103 307.379 6 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanol (1R)-1-(4-bromophenyl)-2-[(4-iso…

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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) 2.74 8.24 -10.76 1 4 0 51 342.262 5 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanol (1S)-1-(4-bromophenyl)-2-[(4-iso…

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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) 2.74 8.21 -10.78 1 4 0 51 342.262 5 ↓

Analogs

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Popular Name: 4-methyl-3-[2-(4-nitrophenyl)ethylsulfanyl]-1,2,4-triazole 4-methyl-3-[2-(4-nitrophenyl)eth…

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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) 2.14 10.13 -15.97 0 6 0 77 264.31 5 ↓

Analogs

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Popular Name: 3-methyl-5-[2-(4-nitrophenyl)ethylsulfanyl]-1,2,4-triazol-4-amine 3-methyl-5-[2-(4-nitrophenyl)eth…

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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) 1.61 8.1 -14.93 2 7 0 103 279.325 5 ↓

Parameters Provided:

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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 = 15213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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