UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(5-phenyltetr…

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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) 1.39 6.97 -59.26 3 5 1 71 300.773 3 ↓
Hi High (pH 8-9.5) 1.39 6.65 -8.76 2 5 0 70 299.765 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(5-phenyltetr…

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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) 1.39 6.96 -59.28 3 5 1 71 300.773 3 ↓
Hi High (pH 8-9.5) 1.39 6.64 -8.58 2 5 0 70 299.765 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(5-phenyltetra…

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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) 1.52 7.12 -59.18 3 5 1 71 345.224 3 ↓
Hi High (pH 8-9.5) 1.52 6.8 -8.57 2 5 0 70 344.216 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(5-phenyltetra…

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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) 1.52 7.11 -59.14 3 5 1 71 345.224 3 ↓
Hi High (pH 8-9.5) 1.52 6.79 -8.34 2 5 0 70 344.216 3 ↓

Analogs

5775903
5775903

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Popular Name: N-[(E)-(3,4-difluorobenzylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide N-[(E)-(3,4-difluorobenzylidene)…

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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) 2.76 1.55 -22.49 1 7 0 85 342.309 5 ↓

Analogs

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Popular Name: N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]hexanamide N-[(2-ethyltetrazol-5-yl)thiocar…

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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) 1.83 7.07 -22.19 2 7 0 85 270.362 8 ↓

Analogs

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Popular Name: N-(fluoren-9-ylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide N-(fluoren-9-ylideneamino)-2-(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) 4.14 0.62 -23.52 1 7 0 85 380.411 4 ↓

Analogs

6138567
6138567

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Popular Name: 4-butoxy-N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]benzamide 4-butoxy-N-[(2-ethyltetrazol-5-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) 2.59 -0.34 -21.92 2 8 0 93 348.432 9 ↓

Analogs

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Popular Name: 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]aminothiophene-3-carboxamide 2-[2-[5-(4-bromophenyl)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) 1.58 -3.34 -15.69 3 8 0 115 407.253 5 ↓

Analogs

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Popular Name: 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-7-methyl-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-5 3-[[5-(4-bromophenyl)tetrazol-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) 3.15 8.5 -39.24 1 7 1 79 404.273 3 ↓
Mid Mid (pH 6-8) 3.15 8.1 -13.53 0 7 0 78 403.265 3 ↓

Analogs

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Popular Name: 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(p-tolyl)isoxazol-5-yl]-acetamide 2-[5-(4-fluorophenyl)tetrazol-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) 3.13 2.37 -24.55 1 8 0 98 378.367 5 ↓

Analogs

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Popular Name: 5-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-ethyl-2H-1,2,4-triazole-3-thione 5-[[5-(3,4-dimethoxyphenyl)tetra…

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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) 0.67 -0.93 -19.97 1 9 0 95 347.404 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) 2.92 1.7 -19.72 1 11 0 129 478.538 10 ↓

Analogs

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Popular Name: ethyl 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) 3.30 1.67 -19.53 1 11 0 129 492.565 11 ↓

Analogs

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Popular Name: 2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-aceta 2-[[4-ethyl-5-[(5-phenyltetrazol…

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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) 2.81 0.59 -18.38 1 10 0 112 450.528 9 ↓

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) 2.90 1.71 -23.63 1 11 0 129 478.538 10 ↓

Analogs

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Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-ethanone 2-[5-(4-bromophenyl)tetrazol-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) 3.11 1.6 -12.6 0 6 0 65 400.28 5 ↓

Analogs

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Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)-acetamide 2-[5-(4-bromophenyl)tetrazol-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) 2.60 6 -21.65 1 7 0 97 375.23 4 ↓

Analogs

5326944
5326944

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Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(4-nitrophenyl)-acetamide 2-[5-(4-bromophenyl)tetrazol-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) 3.00 0.28 -21.18 1 9 0 118 403.196 5 ↓

Analogs

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Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[5-(4-bromophenyl)tetrazol-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) 2.81 6.23 -15.49 1 7 0 82 402.252 6 ↓

Analogs

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Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-ethyl-N-phenyl-acetamide 2-[5-(4-bromophenyl)tetrazol-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) 3.67 1.57 -15.49 0 6 0 63 386.253 5 ↓

Analogs

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Popular Name: 5-(4-bromophenyl)-2-[(2-ethoxyphenyl)methyl]tetrazole 5-(4-bromophenyl)-2-[(2-ethoxyph…

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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) 4.22 8.71 -7.22 0 5 0 53 359.227 5 ↓

Analogs

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Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]-N-methyl-acetamide 2-[5-(4-bromophenyl)tetrazol-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) 3.00 1.04 -15.14 0 7 0 73 416.279 6 ↓

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(5-fluoro-2-methoxy-phenyl)-ethanone 2-[5-(3-chlorophenyl)tetrazol-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) 3.38 3.28 -15.36 0 6 0 69 346.749 5 ↓

Analogs

16684913
16684913

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-ethanone 2-[5-(3-chlorophenyl)tetrazol-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) 3.33 2.99 -13.27 0 6 0 65 357.845 5 ↓

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N,N-dimethyl-acetamide 2-[5-(3-chlorophenyl)tetrazol-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) 1.00 1.17 -16.13 0 6 0 63 265.704 3 ↓

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide 2-[5-(3-chlorophenyl)tetrazol-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) 2.62 6.12 -16.82 1 7 0 82 357.801 6 ↓

Analogs

7148908
7148908

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-ethan 2-[5-(3-chlorophenyl)tetrazol-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) 2.96 1.49 -14.86 0 7 0 74 399.882 6 ↓

Analogs

7148902
7148902

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-ethan 2-[5-(3-chlorophenyl)tetrazol-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) 2.96 1.68 -14.65 0 7 0 74 399.882 6 ↓

Analogs

39575735
39575735
39575736
39575736
39575877
39575877
39575878
39575878

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(4-ethylphenyl)-ethanone 2-[5-(3-chlorophenyl)tetrazol-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) 4.15 2.29 -13.92 0 5 0 60 326.787 5 ↓

Analogs

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Popular Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-(1-allyl-2,5-dimethyl-pyrrol-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) 3.23 3.26 -13.42 0 6 0 65 355.829 6 ↓

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-ethanone 2-[5-(3-chlorophenyl)tetrazol-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) 3.44 3.52 -16.08 0 7 0 78 395.85 6 ↓

Analogs

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Popular Name: 1-benzo[1,3]dioxol-5-yl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-benzo[1,3]dioxol-5-yl-2-[5-(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) 3.13 6.87 -18.27 0 7 0 79 342.742 4 ↓

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,4-dimethoxyphenyl)-ethanone 2-[5-(3-chlorophenyl)tetrazol-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) 3.28 2.58 -18.26 0 7 0 79 358.785 6 ↓

Analogs

7149001
7149001

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-ethanone 2-[5-(3-chlorophenyl)tetrazol-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) 3.47 2.88 -13.23 0 6 0 65 357.845 6 ↓

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-ethanone 2-[5-(3-chlorophenyl)tetrazol-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) 2.85 2.2 -15.17 0 7 0 74 387.871 8 ↓

Analogs

15081691
15081691

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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) 1.95 2.48 -12.39 0 6 0 69 252.661 4 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-(4-chlorophenyl)-2-[5-(3-chlor…

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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) 3.91 1.66 -14.03 0 5 0 60 333.178 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-(4-bromophenyl)-2-[5-(3-chloro…

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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) 4.04 1.05 -13.92 0 5 0 60 377.629 4 ↓

Analogs

16684913
16684913
7148966
7148966

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-ethanone 2-[5-(3-chlorophenyl)tetrazol-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) 2.96 2.21 -13.59 0 6 0 65 355.829 5 ↓

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-ethyl-N-phenyl-acetamide 2-[5-(3-chlorophenyl)tetrazol-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) 3.51 9.22 -16.84 0 6 0 64 341.802 5 ↓

Analogs

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Popular Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-(1-ethyl-2,5-dimethyl-pyrrol-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) 2.45 3.7 -13.97 0 6 0 65 327.363 5 ↓

Analogs

7143581
7143581

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Popular Name: 1-(5-fluoro-2-methoxy-phenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-(5-fluoro-2-methoxy-phenyl)-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) 2.87 4.16 -15.74 0 6 0 69 330.294 5 ↓

Analogs

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-tetralin-2-yl-ethanone 2-[5-(3-fluorophenyl)tetrazol-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) 3.90 2.6 -14.65 0 5 0 60 336.37 4 ↓

Analogs

5169399
5169399
3351411
3351411

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-1H-indol-3-yl)-ethanone 2-[5-(3-fluorophenyl)tetrazol-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) 3.09 8.47 -15.18 1 6 0 76 335.342 4 ↓

Analogs

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(3-methoxypropyl)acetamide 2-[5-(3-fluorophenyl)tetrazol-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) 0.94 -0.31 -16.61 1 7 0 81 293.302 7 ↓

Analogs

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-methyl-acetamide 2-[5-(3-fluorophenyl)tetrazol-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) 0.68 2.52 -16.78 1 6 0 73 235.222 3 ↓

Analogs

5088753
5088753

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Popular Name: 1-benzo[1,3]dioxol-5-yl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-benzo[1,3]dioxol-5-yl-2-[5-(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) 2.61 1.87 -18.74 0 7 0 79 326.287 4 ↓

Analogs

7149113
7149113
5088950
5088950
5088951
5088951

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-1-piperidyl)-ethanone 2-[5-(3-fluorophenyl)tetrazol-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) 2.16 1.54 -15.48 0 6 0 63 303.341 3 ↓

Analogs

7149111
7149111
5088950
5088950
5088951
5088951

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-1-piperidyl)-ethanone 2-[5-(3-fluorophenyl)tetrazol-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) 2.16 1.53 -14.69 0 6 0 63 303.341 3 ↓

Parameters Provided:

ring.id = 1929
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 = 1929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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