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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-tetrahydropyran-4-yltriazole-4-carboxylic 1-tetrahydropyran-4-yltriazole-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) 0.04 2.31 -49.75 0 6 -1 80 196.186 2 ↓

Analogs

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Popular Name: 5-ethyl-1-tetrahydropyran-4-yl-triazole-4-carboxylic 5-ethyl-1-tetrahydropyran-4-yl-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) 0.83 3.61 -53.47 0 6 -1 80 224.24 3 ↓

Analogs

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Popular Name: 5-methyl-1-tetrahydropyran-4-yl-triazole-4-carboxylic 5-methyl-1-tetrahydropyran-4-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) 0.26 2.89 -52.7 0 6 -1 80 210.213 2 ↓

Analogs

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Popular Name: (1-tetrahydropyran-4-yltriazol-4-yl)methanamine (1-tetrahydropyran-4-yltriazol-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) -0.35 -0.13 -47.2 3 5 1 68 183.235 2 ↓
Hi High (pH 8-9.5) -0.35 -0.53 -7.75 2 5 0 66 182.227 2 ↓

Analogs

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Popular Name: (1-tetrahydropyran-4-yltriazol-4-yl)methanol (1-tetrahydropyran-4-yltriazol-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) -0.20 -0.8 -8.4 1 5 0 60 183.211 2 ↓

Analogs

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Popular Name: 2-(1-tetrahydropyran-4-yltriazol-4-yl)ethanol 2-(1-tetrahydropyran-4-yltriazol…

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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) 0.01 -0.1 -8.93 1 5 0 60 197.238 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-1-tetrahydropyran-4-yl-triazole 4-(chloromethyl)-1-tetrahydropyr…

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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) 1.04 3.09 -8.68 0 4 0 40 201.657 2 ↓

Analogs

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Popular Name: 4-(2-chloroethyl)-1-tetrahydropyran-4-yl-triazole 4-(2-chloroethyl)-1-tetrahydropy…

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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) 1.25 3.87 -7.6 0 4 0 40 215.684 3 ↓

Analogs

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Popular Name: 4-(bromomethyl)-1-tetrahydropyran-4-yl-triazole 4-(bromomethyl)-1-tetrahydropyra…

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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) 1.17 3.19 -8.32 0 4 0 40 246.108 2 ↓

Analogs

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Popular Name: 4-(2-bromoethyl)-1-tetrahydropyran-4-yl-triazole 4-(2-bromoethyl)-1-tetrahydropyr…

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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) 1.38 3.96 -7.46 0 4 0 40 260.135 3 ↓

Analogs

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Popular Name: 2-(1-tetrahydropyran-4-yltriazol-4-yl)propan-2-amine 2-(1-tetrahydropyran-4-yltriazol…

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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) 0.66 1.06 -50.48 3 5 1 68 211.289 2 ↓
Hi High (pH 8-9.5) 0.66 0.81 -7.31 2 5 0 66 210.281 2 ↓

Parameters Provided:

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