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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxy-2-oxo-ethyl) (2-methoxy-2-oxo-ethyl)

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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) 1.28 6.61 -11.52 0 7 0 83 275.264 6 ↓

Analogs

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Popular Name: (2-tert-butoxy-2-oxo-ethyl) (2-tert-butoxy-2-oxo-ethyl)

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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) 2.47 8.58 -10.62 0 7 0 83 317.345 7 ↓

Analogs

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Popular Name: 2-hydroxyethyl 2-hydroxyethyl

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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) 0.69 2.99 -11.76 1 6 0 77 247.254 5 ↓

Analogs

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Popular Name: N-methyl-N-[(2-phenyltriazol-4-yl)methyl]ethane-1,2-diamine N-methyl-N-[(2-phenyltriazol-4-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) -0.03 2.03 -49.52 3 5 1 62 232.311 5 ↓
Lo Low (pH 4.5-6) -0.03 4.35 -122.11 4 5 2 63 233.319 5 ↓

Analogs

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Popular Name: N-(2-aminoethyl)-N-methyl-2-phenyl-triazole-4-carboxamide N-(2-aminoethyl)-N-methyl-2-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) -0.39 2.98 -49.02 3 6 1 79 246.294 4 ↓
Hi High (pH 8-9.5) -0.39 2.59 -8.26 2 6 0 77 245.286 4 ↓

Analogs

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Popular Name: 2-(2,4-dimethylphenyl)-5-methyl-N-prop-2-ynyl-triazole-4-carboxamide 2-(2,4-dimethylphenyl)-5-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 5.89 -8.79 1 5 0 60 268.32 3 ↓

Analogs

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Popular Name: (3S)-3-[(2-phenyltriazole-4-carbonyl)amino]butanoic (3S)-3-[(2-phenyltriazole-4-carb…

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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 5.05 -50.71 1 7 -1 100 273.272 5 ↓

Analogs

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Popular Name: (3R)-3-[(2-phenyltriazole-4-carbonyl)amino]butanoic (3R)-3-[(2-phenyltriazole-4-carb…

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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 5.04 -50.77 1 7 -1 100 273.272 5 ↓

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) 1.12 4.5 -11.79 1 6 0 69 260.297 6 ↓
Mid Mid (pH 6-8) 1.12 5.77 -45.51 2 6 1 74 261.305 6 ↓

Analogs

43430340
43430340
43430341
43430341
43433043
43433043
43433045
43433045
20245860
20245860

Draw Identity 99% 90% 80% 70%

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) 1.60 6.1 -44.5 2 6 1 74 275.332 6 ↓
Mid Mid (pH 6-8) 1.60 4.89 -10.54 1 6 0 69 274.324 6 ↓

Analogs

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Popular Name: (2R)-3-chloro-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide (2R)-3-chloro-2-methyl-N-[4-(tri…

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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) 1.66 5.28 -11.77 1 5 0 60 264.716 4 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide (2S)-3-chloro-2-methyl-N-[4-(tri…

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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) 1.66 5.29 -11.82 1 5 0 60 264.716 4 ↓

Analogs

43433043
43433043
43433045
43433045
52272714
52272714
52272716
52272716
52272718
52272718

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Popular Name: 2,4,4-trimethyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-2-amine 2,4,4-trimethyl-N-[(2-phenyltria…

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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) 3.71 9 -35.52 2 4 1 47 287.431 6 ↓

Analogs

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Popular Name: N-(5-methoxypentyl)-N'-[4-(triazol-2-yl)phenyl]oxamide N-(5-methoxypentyl)-N'-[4-(triaz…

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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) 0.44 3.13 -11.69 2 8 0 98 331.376 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-2-oxo-ethyl)-2-(2,4-dimethylphenyl)-N,5-dimethyl-triazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-2-(2,4-d…

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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) 0.80 4.02 -15.5 2 7 0 94 301.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-2-oxo-ethyl)-N-methyl-2-phenyl-triazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-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) -0.46 2.03 -15.83 2 7 0 94 259.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide 3-(ethylamino)-N-[4-(triazol-2-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) 0.39 4.15 -51.5 3 6 1 76 260.321 6 ↓

Analogs

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Popular Name: 2-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide 2-(ethylamino)-2-methyl-N-[4-(tr…

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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) 1.28 4.57 -51.26 3 6 1 76 274.348 5 ↓
Hi High (pH 8-9.5) 1.28 3.35 -11.8 2 6 0 72 273.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-2-(methylamino)-N-[4-(triazol-2-yl)phenyl]propanamide 2-methyl-2-(methylamino)-N-[4-(t…

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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 3.75 -53.51 3 6 1 76 260.321 4 ↓
Hi High (pH 8-9.5) 0.90 2.51 -10.59 2 6 0 72 259.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]ethane-1,2-diamine N-(2-methoxyethyl)-N-methyl-N'-[…

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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) 0.94 4.82 -38.69 2 6 1 56 290.391 9 ↓
Mid Mid (pH 6-8) 0.94 3.8 -45.32 2 6 1 60 290.391 9 ↓
Mid Mid (pH 6-8) 0.94 2.45 -8.44 1 6 0 55 289.383 9 ↓

Analogs

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Popular Name: (2S)-2-bromo-N-[4-(triazol-2-yl)phenyl]butanamide (2S)-2-bromo-N-[4-(triazol-2-yl)…

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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) 1.91 5.36 -12.38 1 5 0 60 309.167 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-N-[4-(triazol-2-yl)phenyl]butanamide (2R)-2-bromo-N-[4-(triazol-2-yl)…

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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) 1.91 5.36 -12.25 1 5 0 60 309.167 4 ↓

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) 0.39 1.88 -9.39 2 8 0 98 275.268 4 ↓

Analogs

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Popular Name: (E)-3-(2-phenyltriazol-4-yl)prop-2-en-1-amine (E)-3-(2-phenyltriazol-4-yl)prop…

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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) 0.72 3.78 -49.95 3 4 1 58 201.253 3 ↓
Hi High (pH 8-9.5) 0.72 3.38 -8.89 2 4 0 57 200.245 3 ↓

Analogs

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Popular Name: (E)-4-(2-phenyltriazol-4-yl)but-3-en-1-amine (E)-4-(2-phenyltriazol-4-yl)but-…

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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) 0.99 4.56 -50.59 3 4 1 58 215.28 4 ↓

Analogs

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Popular Name: 2-[(E)-(2-phenyltriazol-4-yl)methyleneamino]oxyacetic 2-[(E)-(2-phenyltriazol-4-yl)met…

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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 5.81 -52.85 0 7 -1 92 245.218 5 ↓

Analogs

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Popular Name: N-methyl-4-(triazol-2-yl)aniline N-methyl-4-(triazol-2-yl)aniline

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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) 0.98 3.16 -8.17 1 4 0 43 174.207 2 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)triazole-4-carbaldehyde 2-(4-methoxyphenyl)triazole-4-ca…

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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) 1.21 3.17 -14.31 0 5 0 57 203.201 3 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)triazole-4-carboxylic 2-(4-methoxyphenyl)triazole-4-ca…

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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) 1.00 4.06 -47.66 0 6 -1 80 218.192 3 ↓

Analogs

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Popular Name: N-(2-amino-1,1-dimethyl-ethyl)-2-phenyl-triazole-4-carboxamide N-(2-amino-1,1-dimethyl-ethyl)-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) 0.17 2.22 -52.21 4 6 1 87 260.321 4 ↓

Analogs

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Popular Name: 3,3,3-trifluoro-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine 3,3,3-trifluoro-N-[(2-phenyltria…

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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) 2.12 6.18 -50.23 2 4 1 47 271.266 6 ↓
Hi High (pH 8-9.5) 2.12 4.83 -9.08 1 4 0 43 270.258 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-4-methyl-2-nitro-pent-1-enyl]-2-phenyl-triazole 4-[(E)-4-methyl-2-nitro-pent-1-e…

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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) 3.46 9.18 -8.11 0 6 0 77 272.308 5 ↓

Analogs

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Popular Name: 2-[[2-(2-phenyltriazol-4-yl)acetyl]amino]propanediamide 2-[[2-(2-phenyltriazol-4-yl)acet…

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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) -0.78 -2.85 -23.1 5 9 0 146 302.294 6 ↓

Analogs

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-2-phenyl-triazole-4-carboxamide N-[2-(2-hydroxyethoxy)ethyl]-2-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) -0.18 0.18 -11.82 2 7 0 89 276.296 7 ↓

Analogs

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Popular Name: 2-[4-(trifluoromethyl)phenyl]triazole-4-carbaldehyde 2-[4-(trifluoromethyl)phenyl]tri…

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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 4.89 -13.08 0 4 0 48 241.172 3 ↓

Analogs

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Popular Name: 4-amino-4-methyl-N-[4-(triazol-2-yl)phenyl]pentanamide 4-amino-4-methyl-N-[4-(triazol-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) 1.07 3.18 -50.65 4 6 1 87 274.348 5 ↓

Analogs

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Popular Name: 2-[2-oxo-2-[4-(triazol-2-yl)anilino]ethoxy]acetic 2-[2-oxo-2-[4-(triazol-2-yl)anil…

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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) -0.46 4.72 -61.37 1 8 -1 109 275.244 6 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-phenyltriazol-4-yl)methyl]but-3-yn-2-amine 2-methyl-N-[(2-phenyltriazol-4-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) 1.89 5.2 -8.36 1 4 0 43 240.31 4 ↓
Mid Mid (pH 6-8) 1.89 6.44 -39.25 2 4 1 47 241.318 4 ↓

Analogs

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Popular Name: N-(1,1-dimethylprop-2-ynyl)-2-phenyl-triazole-4-carboxamide N-(1,1-dimethylprop-2-ynyl)-2-ph…

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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) 1.53 4.99 -7.67 1 5 0 60 254.293 3 ↓

Analogs

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Popular Name: 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic 2-[(2-phenyltriazole-4-carbonyl)…

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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) -0.24 4.78 -51.23 1 8 -1 109 261.217 5 ↓

Analogs

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Popular Name: 3-methylsulfanyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine 3-methylsulfanyl-N-[(2-phenyltri…

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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) 1.72 7.03 -47.46 2 4 1 47 263.39 7 ↓
Hi High (pH 8-9.5) 1.72 5.69 -8.61 1 4 0 43 262.382 7 ↓

Analogs

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Popular Name: N-ethyl-2-phenyl-triazole-4-carboxamide N-ethyl-2-phenyl-triazole-4-carb…

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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) 0.94 3.23 -8.02 1 5 0 60 216.244 3 ↓

Analogs

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Popular Name: 5-[(2-phenyltriazole-4-carbonyl)amino]pentanoic 5-[(2-phenyltriazole-4-carbonyl)…

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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) 0.85 5.48 -50.08 1 7 -1 100 287.299 7 ↓
Lo Low (pH 4.5-6) 0.85 3.5 -13.63 2 7 0 97 288.307 7 ↓

Analogs

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Popular Name: 5-amino-N-[4-(triazol-2-yl)phenyl]pentanamide 5-amino-N-[4-(triazol-2-yl)pheny…

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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) 0.16 3 -54.49 4 6 1 87 260.321 6 ↓

Analogs

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Popular Name: N-(3,3-dimethylbutyl)-2-phenyl-triazole-4-carboxamide N-(3,3-dimethylbutyl)-2-phenyl-t…

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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) 2.53 5.65 -7.53 1 5 0 60 272.352 5 ↓

Analogs

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Popular Name: N,N'-dimethyl-N'-[(2-phenyltriazol-4-yl)methyl]ethane-1,2-diamine N,N'-dimethyl-N'-[(2-phenyltriaz…

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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) 0.96 3.9 -44.77 2 5 1 51 246.338 6 ↓
Hi High (pH 8-9.5) 0.96 2.45 -7.69 1 5 0 46 245.33 6 ↓
Lo Low (pH 4.5-6) 0.96 6.22 -117.78 3 5 2 52 247.346 6 ↓

Analogs

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Popular Name: N-methyl-N-[2-(methylamino)ethyl]-2-phenyl-triazole-4-carboxamide N-methyl-N-[2-(methylamino)ethyl…

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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) 0.59 4.86 -44.25 2 6 1 68 260.321 5 ↓
Hi High (pH 8-9.5) 0.59 3.43 -9.37 1 6 0 63 259.313 5 ↓

Analogs

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Popular Name: (4S)-4-[(2-phenyltriazole-4-carbonyl)amino]pentanoic (4S)-4-[(2-phenyltriazole-4-carb…

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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) 0.68 5.71 -47.98 1 7 -1 100 287.299 6 ↓
Lo Low (pH 4.5-6) 0.68 3.73 -11.04 2 7 0 97 288.307 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[(2-phenyltriazole-4-carbonyl)amino]pentanoic (4R)-4-[(2-phenyltriazole-4-carb…

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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) 0.68 5.7 -48.02 1 7 -1 100 287.299 6 ↓
Lo Low (pH 4.5-6) 0.68 3.74 -11.05 2 7 0 97 288.307 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-N-[4-(triazol-2-yl)phenyl]pentanamide (4S)-4-amino-N-[4-(triazol-2-yl)…

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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) 0.05 2.94 -58.14 4 6 1 87 260.321 5 ↓

Parameters Provided:

ring.id = 36685
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 = 36685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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