Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_emimp1vu83utinq9hcv8qoi8l0, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[2-(3-methylphenoxy)ethyl]tetrazole 5-(chloromethyl)-1-[2-(3-methylp…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.86 -10.39 0 5 0 53 252.705 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-(2-phenoxyethyl)tetrazole 5-(chloromethyl)-1-(2-phenoxyeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.68 5.18 -10.4 0 5 0 53 238.678 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[2-(3-methylpheno…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.21 6.92 -52.83 2 6 1 69 290.391 8 ↓
Hi High (pH 8-9.5) 2.21 5.57 -9.4 1 6 0 65 289.383 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-[2-(3-methylphenoxy)ethyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[2-(3-methylphen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.61 -52.95 2 7 1 79 292.363 9 ↓
Mid Mid (pH 6-8) 1.07 3.19 -12.2 1 7 0 74 291.355 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-(3-methylphenoxy)ethyl]tetrazol-5-yl]methanamine [1-[2-(3-methylphenoxy)ethyl]tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.71 2.73 -59.45 3 6 1 80 234.283 5 ↓
Hi High (pH 8-9.5) 0.71 2.28 -9.52 2 6 0 79 233.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[2-(3-methylphenoxy)ethyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[2-(3-methylphenox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.09 4.61 -52.89 2 6 1 69 248.31 6 ↓
Hi High (pH 8-9.5) 1.09 3.18 -9.97 1 6 0 65 247.302 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(3-methylphenoxy)ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[2-(3-methylphenoxy)ethyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.43 -52.48 2 6 1 69 262.337 7 ↓
Hi High (pH 8-9.5) 1.46 4.07 -8.32 1 6 0 65 261.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(3-methylphenoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[2-(3-methylphenoxy)ethyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.18 -53.47 2 6 1 69 276.364 8 ↓
Hi High (pH 8-9.5) 1.97 4.83 -8.16 1 6 0 65 275.356 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(3-methylphenoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[2-(3-methylphenoxy)ethyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.99 -49.84 2 6 1 69 276.364 7 ↓
Hi High (pH 8-9.5) 1.76 4.78 -9.66 1 6 0 65 275.356 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-(3-methylpheno…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.27 6.4 -46.65 2 6 1 69 290.391 7 ↓
Hi High (pH 8-9.5) 2.27 5.2 -9.22 1 6 0 65 289.383 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-(2-phenoxyethyl)tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-(2-phenoxyethyl)t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.2 -53.64 2 6 1 69 276.364 8 ↓
Hi High (pH 8-9.5) 1.79 4.84 -8.09 1 6 0 65 275.356 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-(2-phenoxyethyl)tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-(2-phenoxyethyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.88 -53.88 2 7 1 79 278.336 9 ↓
Mid Mid (pH 6-8) 0.65 2.55 -9.96 1 7 0 74 277.328 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(2-phenoxyethyl)tetrazol-5-yl]methanamine [1-(2-phenoxyethyl)tetrazol-5-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.29 2.06 -59.38 3 6 1 80 220.256 5 ↓
Hi High (pH 8-9.5) 0.29 1.61 -9.49 2 6 0 79 219.248 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-(2-phenoxyethyl)tetrazol-5-yl]methanamine N-methyl-1-[1-(2-phenoxyethyl)te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 3.89 -53.36 2 6 1 69 234.283 6 ↓
Hi High (pH 8-9.5) 0.66 2.46 -8.41 1 6 0 65 233.275 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-phenoxyethyl)tetrazol-5-yl]methyl]ethanamine N-[[1-(2-phenoxyethyl)tetrazol-5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.75 -52.45 2 6 1 69 248.31 7 ↓
Hi High (pH 8-9.5) 1.04 3.39 -8.26 1 6 0 65 247.302 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-phenoxyethyl)tetrazol-5-yl]methyl]propan-1-amine N-[[1-(2-phenoxyethyl)tetrazol-5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.54 5.5 -53.49 2 6 1 69 262.337 8 ↓
Hi High (pH 8-9.5) 1.54 4.16 -8.12 1 6 0 65 261.329 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-phenoxyethyl)tetrazol-5-yl]methyl]propan-2-amine N-[[1-(2-phenoxyethyl)tetrazol-5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.34 5.28 -50.6 2 6 1 69 262.337 7 ↓
Hi High (pH 8-9.5) 1.34 4.07 -7.93 1 6 0 65 261.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-(2-phenoxyethyl)tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-(2-phenoxyethyl)t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.85 5.71 -47.53 2 6 1 69 276.364 7 ↓
Hi High (pH 8-9.5) 1.85 4.48 -7.76 1 6 0 65 275.356 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(5-tert-butyltetrazol-1-yl)ethoxy]benzonitrile 2-[2-(5-tert-butyltetrazol-1-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.52 6.35 -12.4 0 6 0 77 271.324 5 ↓

Parameters Provided:

ring.id = 109895
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 = 109895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=109895&filter.purchasability=annotated

Embed Link to Results