Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0k0pquhh3j8jldvm9cv8rlcf41, 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-[[(2S)-tetrahydropyran-2-yl]methyl]tetrazole 5-(chloromethyl)-1-[[(2S)-tetrah…

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) 0.88 4.01 -9.85 0 5 0 53 216.672 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[[(2R)-tetrahydropyran-2-yl]methyl]tetrazole 5-(chloromethyl)-1-[[(2R)-tetrah…

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) 0.88 3.68 -12.66 0 5 0 53 216.672 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.98 4.69 -56.77 2 6 1 69 254.358 6 ↓
Hi High (pH 8-9.5) 0.98 3.34 -10.24 1 6 0 65 253.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.98 4.82 -47.74 2 6 1 69 254.358 6 ↓
Hi High (pH 8-9.5) 0.98 3.46 -7.42 1 6 0 65 253.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.15 2.39 -58.04 2 7 1 79 256.33 7 ↓
Mid Mid (pH 6-8) -0.15 1.05 -12.41 1 7 0 74 255.322 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -0.15 2.51 -48.58 2 7 1 79 256.33 7 ↓
Mid Mid (pH 6-8) -0.15 1.17 -9.32 1 7 0 74 255.322 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(2S)-tetrahydropyran-2-yl]methyl]tetrazol-5-yl]methanamine [1-[[(2S)-tetrahydropyran-2-yl]m…

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) -0.51 0.49 -63.44 3 6 1 80 198.25 3 ↓
Hi High (pH 8-9.5) -0.51 0.75 -9.03 2 6 0 79 197.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(2R)-tetrahydropyran-2-yl]methyl]tetrazol-5-yl]methanamine [1-[[(2R)-tetrahydropyran-2-yl]m…

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) -0.51 0.55 -63.02 3 6 1 80 198.25 3 ↓
Hi High (pH 8-9.5) -0.51 0.11 -11.8 2 6 0 79 197.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[(2S)-tetrahydropyran-2-yl]methyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[[(2S)-tetrahydrop…

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) -0.14 2.39 -57.1 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.14 0.96 -10.54 1 6 0 65 211.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[(2R)-tetrahydropyran-2-yl]methyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[[(2R)-tetrahydrop…

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) -0.14 2.52 -48.68 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.14 1.08 -7.8 1 6 0 65 211.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.24 3.25 -56.22 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.24 1.9 -10.41 1 6 0 65 225.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.24 3.38 -47.38 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.24 2.01 -7.62 1 6 0 65 225.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.74 4.01 -57.15 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.74 2.66 -10.26 1 6 0 65 239.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.74 4.13 -48.2 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.74 2.78 -7.46 1 6 0 65 239.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.54 3.78 -54.45 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.54 2.59 -10.28 1 6 0 65 239.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.54 3.91 -45.61 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.54 2.71 -7.46 1 6 0 65 239.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.05 4.21 -51.14 2 6 1 69 254.358 5 ↓
Hi High (pH 8-9.5) 1.05 2.99 -9.92 1 6 0 65 253.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.05 4.33 -42.92 2 6 1 69 254.358 5 ↓
Hi High (pH 8-9.5) 1.05 3.09 -7.37 1 6 0 65 253.35 5 ↓

Parameters Provided:

ring.id = 151609
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 = 151609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=151609&filter.purchasability=annotated

Embed Link to Results