UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[2-(3-fluorophenyl)ethyl]-1H-tetrazole 5-[2-(3-fluorophenyl)ethyl]-1H-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) 1.48 4.4 -36.91 0 4 -1 53 191.189 3 ↓
Lo Low (pH 4.5-6) 1.48 4.4 -6.91 1 4 0 54 192.197 3 ↓

Analogs

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Popular Name: 5-[2-(2-bromophenyl)ethyl]-1H-tetrazole 5-[2-(2-bromophenyl)ethyl]-1H-te…

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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) 2.10 4.81 -38.54 0 4 -1 53 252.095 3 ↓
Lo Low (pH 4.5-6) 2.10 4.81 -5.73 1 4 0 54 253.103 3 ↓

Analogs

36143328
36143328

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Popular Name: (2R)-3-(3,4-difluorophenyl)-2-methyl-2-(2H-tetrazol-5-yl)propan-1-amine (2R)-3-(3,4-difluorophenyl)-2-me…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-3-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #3 Of 4), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D2-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D3-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D4-2-E Voltage-gated Calcium Channel Alpha2/delta-4 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 520 0.49 Binding ≤ 1μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 520 0.49 Binding ≤ 1μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 520 0.49 Binding ≤ 1μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 520 0.49 Binding ≤ 1μM
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 520 0.49 Binding ≤ 10μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 520 0.49 Binding ≤ 10μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 520 0.49 Binding ≤ 10μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 520 0.49 Binding ≤ 10μM

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) 0.82 2.17 -40.58 3 5 0 80 253.256 4 ↓
Lo Low (pH 4.5-6) 0.82 2.33 -58.32 4 5 1 82 254.264 4 ↓

Analogs

36143325
36143325

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Popular Name: (2S)-3-(3,4-difluorophenyl)-2-methyl-2-(2H-tetrazol-5-yl)propan-1-amine (2S)-3-(3,4-difluorophenyl)-2-me…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-3-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #3 Of 4), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D2-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D3-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
CA2D4-2-E Voltage-gated Calcium Channel Alpha2/delta-4 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 520 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 520 0.49 Binding ≤ 1μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 520 0.49 Binding ≤ 1μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 520 0.49 Binding ≤ 1μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 520 0.49 Binding ≤ 1μM
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 520 0.49 Binding ≤ 10μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 520 0.49 Binding ≤ 10μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 520 0.49 Binding ≤ 10μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 520 0.49 Binding ≤ 10μM

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) 0.82 2.19 -46.35 3 5 0 80 253.256 4 ↓
Lo Low (pH 4.5-6) 0.82 2.35 -59.43 4 5 1 82 254.264 4 ↓

Analogs

36143335
36143335

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Popular Name: (2R)-2-methyl-2-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (2R)-2-methyl-2-(2H-tetrazol-5-y…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-3-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #3 Of 4), Eukaryotic Eukaryotes 160 0.48 Binding ≤ 10μM
CA2D2-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 160 0.48 Binding ≤ 10μM
CA2D3-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 160 0.48 Binding ≤ 10μM
CA2D4-2-E Voltage-gated Calcium Channel Alpha2/delta-4 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 160 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 160 0.48 Binding ≤ 1μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 160 0.48 Binding ≤ 1μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 160 0.48 Binding ≤ 1μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 160 0.48 Binding ≤ 1μM
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 160 0.48 Binding ≤ 10μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 160 0.48 Binding ≤ 10μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 160 0.48 Binding ≤ 10μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 160 0.48 Binding ≤ 10μM

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) 1.43 3.09 -37.78 3 5 0 80 285.273 5 ↓
Lo Low (pH 4.5-6) 1.43 3.25 -53.61 4 5 1 82 286.281 5 ↓

Analogs

36143331
36143331

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Popular Name: (2S)-2-methyl-2-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (2S)-2-methyl-2-(2H-tetrazol-5-y…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-3-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #3 Of 4), Eukaryotic Eukaryotes 160 0.48 Binding ≤ 10μM
CA2D2-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 160 0.48 Binding ≤ 10μM
CA2D3-2-E Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 160 0.48 Binding ≤ 10μM
CA2D4-2-E Voltage-gated Calcium Channel Alpha2/delta-4 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 160 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 160 0.48 Binding ≤ 1μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 160 0.48 Binding ≤ 1μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 160 0.48 Binding ≤ 1μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 160 0.48 Binding ≤ 1μM
CA2D1_HUMAN P54289 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human 160 0.48 Binding ≤ 10μM
CA2D2_HUMAN Q9NY47 Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human 160 0.48 Binding ≤ 10μM
CA2D3_HUMAN Q8IZS8 Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human 160 0.48 Binding ≤ 10μM
CA2D4_HUMAN Q7Z3S7 Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human 160 0.48 Binding ≤ 10μM

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) 1.43 3.09 -45.06 3 5 0 80 285.273 5 ↓
Lo Low (pH 4.5-6) 1.43 3.25 -56.3 4 5 1 82 286.281 5 ↓

Analogs

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Popular Name: 2-(5-phenethyltetrazol-1-yl)acetic 2-(5-phenethyltetrazol-1-yl)acetic

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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) 0.65 6.69 -42.64 0 6 -1 84 231.235 5 ↓

Analogs

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Popular Name: 2-[5-[2-(p-tolyl)ethyl]tetrazol-1-yl]acetic 2-[5-[2-(p-tolyl)ethyl]tetrazol-…

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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) 1.10 7.36 -42.7 0 6 -1 84 245.262 5 ↓

Analogs

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Popular Name: 3-(5-phenethyltetrazol-1-yl)propanoic 3-(5-phenethyltetrazol-1-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) 0.92 7.24 -39.92 0 6 -1 84 245.262 6 ↓

Analogs

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Popular Name: 3-[5-[2-(p-tolyl)ethyl]tetrazol-1-yl]propanoic 3-[5-[2-(p-tolyl)ethyl]tetrazol-…

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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) 1.37 7.92 -40.04 0 6 -1 84 259.289 6 ↓

Analogs

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Popular Name: 4-(5-phenethyltetrazol-1-yl)butanoic 4-(5-phenethyltetrazol-1-yl)buta…

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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) 1.19 8.04 -48.28 0 6 -1 84 259.289 7 ↓

Analogs

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Popular Name: 4-[5-[2-(p-tolyl)ethyl]tetrazol-1-yl]butanoic 4-[5-[2-(p-tolyl)ethyl]tetrazol-…

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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) 1.64 8.72 -48.33 0 6 -1 84 273.316 7 ↓

Analogs

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Popular Name: N,N-diisopropyl-2-(5-phenethyltetrazol-1-yl)acetamide N,N-diisopropyl-2-(5-phenethylte…

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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) 2.10 8.55 -14.06 0 6 0 64 315.421 7 ↓

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) 1.27 6.68 -15.14 0 6 0 70 246.27 6 ↓

Analogs

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Popular Name: 5-[2-(o-tolyl)ethyl]-1H-tetrazole 5-[2-(o-tolyl)ethyl]-1H-tetrazole

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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) 1.74 4.81 -37.46 0 4 -1 53 187.226 3 ↓
Lo Low (pH 4.5-6) 1.74 4.95 -8.93 1 4 0 54 188.234 3 ↓

Analogs

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Popular Name: 5-[2-(m-tolyl)ethyl]-1H-tetrazole 5-[2-(m-tolyl)ethyl]-1H-tetrazole

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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) 1.76 5 -37.58 0 4 -1 53 187.226 3 ↓
Lo Low (pH 4.5-6) 1.76 5.14 -8.99 1 4 0 54 188.234 3 ↓

Analogs

41211181
41211181

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Popular Name: 5-[2-(p-tolyl)ethyl]-1H-tetrazole 5-[2-(p-tolyl)ethyl]-1H-tetrazole

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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) 1.79 5.01 -37.46 0 4 -1 53 187.226 3 ↓
Lo Low (pH 4.5-6) 1.79 5.15 -8.95 1 4 0 54 188.234 3 ↓

Analogs

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Popular Name: 5-[2-(2-fluorophenyl)ethyl]-1H-tetrazole 5-[2-(2-fluorophenyl)ethyl]-1H-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) 1.46 4.37 -40 0 4 -1 53 191.189 3 ↓
Lo Low (pH 4.5-6) 1.46 4.5 -8.7 1 4 0 54 192.197 3 ↓

Analogs

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Popular Name: 5-[2-(4-fluorophenyl)ethyl]-1H-tetrazole 5-[2-(4-fluorophenyl)ethyl]-1H-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) 1.50 4.4 -35.66 0 4 -1 53 191.189 3 ↓
Lo Low (pH 4.5-6) 1.50 4.54 -10.54 1 4 0 54 192.197 3 ↓

Analogs

41204169
41204169

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Popular Name: 5-[2-(4-ethylphenyl)ethyl]-1H-tetrazole 5-[2-(4-ethylphenyl)ethyl]-1H-te…

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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) 2.25 5.77 -37.28 0 4 -1 53 201.253 4 ↓
Lo Low (pH 4.5-6) 2.25 5.91 -8.79 1 4 0 54 202.261 4 ↓

Analogs

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Popular Name: 5-[2-(2-methoxyphenyl)ethyl]-1H-tetrazole 5-[2-(2-methoxyphenyl)ethyl]-1H-…

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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) 1.35 3.69 -40.93 0 5 -1 62 203.225 4 ↓
Lo Low (pH 4.5-6) 1.35 3.83 -8.95 1 5 0 64 204.233 4 ↓

Analogs

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Popular Name: 5-[2-(3-methoxyphenyl)ethyl]-1H-tetrazole 5-[2-(3-methoxyphenyl)ethyl]-1H-…

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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) 1.37 3.63 -39.15 0 5 -1 62 203.225 4 ↓
Lo Low (pH 4.5-6) 1.37 3.77 -10.88 1 5 0 64 204.233 4 ↓

Analogs

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Popular Name: 5-[2-(4-methoxyphenyl)ethyl]-1H-tetrazole 5-[2-(4-methoxyphenyl)ethyl]-1H-…

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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) 1.40 3.63 -37.78 0 5 -1 62 203.225 4 ↓
Lo Low (pH 4.5-6) 1.40 3.77 -10.77 1 5 0 64 204.233 4 ↓

Analogs

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Popular Name: 5-[2-(2-chlorophenyl)ethyl]-1H-tetrazole 5-[2-(2-chlorophenyl)ethyl]-1H-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) 1.97 4.74 -38.74 0 4 -1 53 207.644 3 ↓
Lo Low (pH 4.5-6) 1.97 4.88 -8 1 4 0 54 208.652 3 ↓

Analogs

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Popular Name: 5-[2-(3-chlorophenyl)ethyl]-1H-tetrazole 5-[2-(3-chlorophenyl)ethyl]-1H-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) 1.99 4.84 -36.48 0 4 -1 53 207.644 3 ↓
Lo Low (pH 4.5-6) 1.99 4.98 -10.13 1 4 0 54 208.652 3 ↓

Analogs

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Popular Name: 5-[2-(4-chlorophenyl)ethyl]-1H-tetrazole 5-[2-(4-chlorophenyl)ethyl]-1H-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) 2.02 4.85 -35.37 0 4 -1 53 207.644 3 ↓
Lo Low (pH 4.5-6) 2.02 4.99 -9.73 1 4 0 54 208.652 3 ↓

Analogs

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Popular Name: 5-[2-(4-isopropylphenyl)ethyl]-1H-tetrazole 5-[2-(4-isopropylphenyl)ethyl]-1…

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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) 2.85 6.26 -37.1 0 4 -1 53 215.28 4 ↓
Lo Low (pH 4.5-6) 2.85 6.4 -8.71 1 4 0 54 216.288 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[2-(1H-tetrazol-5-yl)ethyl]aniline N,N-dimethyl-4-[2-(1H-tetrazol-5…

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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) 1.44 4.74 -38.79 0 5 -1 56 216.268 4 ↓

Analogs

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Popular Name: 5-[2-(2-ethoxyphenyl)ethyl]-1H-tetrazole 5-[2-(2-ethoxyphenyl)ethyl]-1H-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) 1.72 4.62 -41.18 0 5 -1 62 217.252 5 ↓
Lo Low (pH 4.5-6) 1.72 4.75 -8.7 1 5 0 64 218.26 5 ↓

Analogs

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Popular Name: 5-[2-(3-ethoxyphenyl)ethyl]-1H-tetrazole 5-[2-(3-ethoxyphenyl)ethyl]-1H-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) 1.75 4.56 -39.05 0 5 -1 62 217.252 5 ↓
Lo Low (pH 4.5-6) 1.75 4.7 -10.77 1 5 0 64 218.26 5 ↓

Analogs

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Popular Name: 5-[2-(4-ethoxyphenyl)ethyl]-1H-tetrazole 5-[2-(4-ethoxyphenyl)ethyl]-1H-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) 1.77 4.56 -37.59 0 5 -1 62 217.252 5 ↓
Lo Low (pH 4.5-6) 1.77 4.7 -10.67 1 5 0 64 218.26 5 ↓

Analogs

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Popular Name: 5-[2-(2-chloro-6-fluoro-phenyl)ethyl]-1H-tetrazole 5-[2-(2-chloro-6-fluoro-phenyl)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) 2.08 4.78 -40.69 0 4 -1 53 225.634 3 ↓
Lo Low (pH 4.5-6) 2.08 4.92 -8.86 1 4 0 54 226.642 3 ↓

Parameters Provided:

ring.id = 27279
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 = 27279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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