UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43478120
43478120
48262757
48262757
29688925
29688925
35255787
35255787
35255789
35255789

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Popular Name: 4-[[3-(5-methyltetrazol-1-yl)anilino]methyl]phenol 4-[[3-(5-methyltetrazol-1-yl)ani…

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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) 1.65 4.27 -13.12 2 6 0 76 281.319 4 ↓

Analogs

35255787
35255787
29688925
29688925
29689404
29689404
35255789
35255789

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Popular Name: N-[(4-bromophenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline N-[(4-bromophenyl)methyl]-3-(5-m…

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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) 2.93 7.75 -11.92 1 5 0 56 344.216 4 ↓

Analogs

35255789
35255789
29688925
29688925

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Popular Name: N-[(4-fluorophenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline N-[(4-fluorophenyl)methyl]-3-(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) 2.29 7.19 -12.58 1 5 0 56 283.31 4 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline N-[(3-bromophenyl)methyl]-3-(5-m…

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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) 2.91 7.74 -12.01 1 5 0 56 344.216 4 ↓

Analogs

48262757
48262757
29688925
29688925
35255787
35255787

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Popular Name: 3-(5-methyltetrazol-1-yl)-N-(p-tolylmethyl)aniline 3-(5-methyltetrazol-1-yl)-N-(p-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) 2.57 7.8 -11.23 1 5 0 56 279.347 4 ↓

Analogs

48262757
48262757
29688925
29688925
35255787
35255787

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Popular Name: 2-[[3-(5-methyltetrazol-1-yl)anilino]methyl]phenol 2-[[3-(5-methyltetrazol-1-yl)ani…

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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) 2.06 4.31 -13.36 2 6 0 76 281.319 4 ↓

Analogs

48262757
48262757
29688925
29688925
35255787
35255787
35255789
35255789
29689404
29689404

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Popular Name: N-benzyl-3-(5-methyltetrazol-1-yl)aniline N-benzyl-3-(5-methyltetrazol-1-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) 2.12 7.12 -11.19 1 5 0 56 265.32 4 ↓

Analogs

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Popular Name: 3-[[3-(5-methyltetrazol-1-yl)anilino]methyl]phenol 3-[[3-(5-methyltetrazol-1-yl)ani…

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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 4.27 -13.05 2 6 0 76 281.319 4 ↓

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline N-[(2-bromophenyl)methyl]-3-(5-m…

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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) 2.89 7.62 -11.71 1 5 0 56 344.216 4 ↓

Analogs

29689012
29689012

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Popular Name: N-[(3-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline N-[(3-chlorophenyl)methyl]-3-(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) 2.78 7.63 -12.01 1 5 0 56 299.765 4 ↓

Analogs

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Popular Name: 3-(5-methyltetrazol-1-yl)-N-[(1S)-1-phenylethyl]aniline 3-(5-methyltetrazol-1-yl)-N-[(1S…

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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 7.85 -11.5 1 5 0 56 279.347 4 ↓

Analogs

48262757
48262757
35255787
35255787
29688925
29688925
29689404
29689404
35255789
35255789

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Popular Name: 3-(5-methyltetrazol-1-yl)-N-[(1R)-1-phenylethyl]aniline 3-(5-methyltetrazol-1-yl)-N-[(1R…

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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 7.85 -11.4 1 5 0 56 279.347 4 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-4-methoxy-3-(5-methyltetrazol-1-yl)aniline N-[(2-fluorophenyl)methyl]-4-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) 2.46 6.65 -13.5 1 6 0 65 313.336 5 ↓

Analogs

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Popular Name: 2-bromo-6-[[3-(tetrazol-1-yl)anilino]methyl]phenol 2-bromo-6-[[3-(tetrazol-1-yl)ani…

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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 5.12 -13.75 2 6 0 76 346.188 4 ↓
Hi High (pH 8-9.5) 2.53 5.88 -44.86 1 6 -1 79 345.18 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-iodophenyl)ethyl]-3-(tetrazol-1-yl)aniline N-[(1S)-1-(4-iodophenyl)ethyl]-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) 3.68 9.09 -11.52 1 5 0 56 391.216 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-iodophenyl)ethyl]-3-(tetrazol-1-yl)aniline N-[(1R)-1-(4-iodophenyl)ethyl]-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) 3.68 9.09 -11.55 1 5 0 56 391.216 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(m-tolyl)ethyl]-3-(tetrazol-1-yl)aniline N-[(1R)-1-(m-tolyl)ethyl]-3-(tet…

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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) 3.02 8.65 -11.23 1 5 0 56 279.347 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(m-tolyl)ethyl]-3-(tetrazol-1-yl)aniline N-[(1S)-1-(m-tolyl)ethyl]-3-(tet…

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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) 3.02 8.66 -11.18 1 5 0 56 279.347 4 ↓

Analogs

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Popular Name: N-[(3,4-dimethylphenyl)methyl]-3-(tetrazol-1-yl)aniline N-[(3,4-dimethylphenyl)methyl]-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) 2.86 8.48 -11.06 1 5 0 56 279.347 4 ↓

Parameters Provided:

ring.id = 149980
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 = 149980 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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