Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_1kskg9uafa80jjn7jh77uf5p50, 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: (2S)-N1-cyclopropyl-N2,3-dimethyl-N2-tetrahydropyran-4-yl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2,3-dimethy…

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) 1.98 4.84 -35.13 2 3 1 29 241.399 6 ↓
Hi High (pH 8-9.5) 1.98 5.13 -32.12 2 3 1 26 241.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2,3-dimethyl-N2-tetrahydropyran-4-yl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2,3-dimethy…

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) 1.98 5.17 -37.43 2 3 1 29 241.399 6 ↓
Hi High (pH 8-9.5) 1.98 6.69 -30.37 2 3 1 26 241.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-methyl-N2-tetrahydropyran-4-yl-propane-1,2-diamine (2S)-N1-cyclopropyl-N2-methyl-N2…

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) 1.20 3.64 -33.76 2 3 1 29 213.345 5 ↓
Hi High (pH 8-9.5) 1.20 2.38 -1.73 1 3 0 24 212.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-methyl-N2-tetrahydropyran-4-yl-propane-1,2-diamine (2R)-N1-cyclopropyl-N2-methyl-N2…

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) 1.20 3.69 -33.55 2 3 1 29 213.345 5 ↓
Hi High (pH 8-9.5) 1.20 3.07 -1.82 1 3 0 24 212.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-methyl-N2-tetrahydropyran-4-yl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-methyl-N2…

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) 1.73 4.09 -35.45 2 3 1 29 227.372 6 ↓
Mid Mid (pH 6-8) 1.73 5.9 -112.13 3 3 2 30 228.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-methyl-N2-tetrahydropyran-4-yl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-methyl-N2…

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) 1.73 4.24 -34.14 2 3 1 29 227.372 6 ↓
Mid Mid (pH 6-8) 1.73 5.83 -113.03 3 3 2 30 228.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-N'-tetrahydropyran-4-yl-ethane-1,2-diamine N-cyclopropyl-N-ethyl-N'-tetrahy…

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) 1.24 5.62 -110.47 3 3 2 30 214.353 6 ↓
Mid Mid (pH 6-8) 1.24 3.3 -39.97 2 3 1 29 213.345 6 ↓
Mid Mid (pH 6-8) 1.24 4.45 -31.87 2 3 1 26 213.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-propyl-N'-tetrahydropyran-4-yl-ethane-1,2-diamine N-cyclopropyl-N-propyl-N'-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) 1.75 6.35 -112.54 3 3 2 30 228.38 7 ↓
Hi High (pH 8-9.5) 1.75 3.11 -1.99 1 3 0 24 226.364 7 ↓
Mid Mid (pH 6-8) 1.75 5.19 -32.45 2 3 1 26 227.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-tetrahydropyran-4-yl-ethane-1,2-diamine N-cyclopropyl-N'-tetrahydropyran…

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) 0.62 3.07 -116.79 4 3 2 42 186.299 5 ↓
Hi High (pH 8-9.5) 0.62 0.6 -2.23 2 3 0 33 184.283 5 ↓
Mid Mid (pH 6-8) 0.62 1.88 -36.69 3 3 1 38 185.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N'-tetrahydropyran-4-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine N-cyclopropyl-N'-tetrahydropyran…

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 3.81 -41.64 2 3 1 29 267.315 7 ↓
Hi High (pH 8-9.5) 1.79 2.63 -3.34 1 3 0 24 266.307 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-cyclopropyl-N'-tetrahydropyran-4-yl-ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-tetrahy…

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) 2.31 7.14 -113.77 3 3 2 30 242.407 8 ↓
Hi High (pH 8-9.5) 2.31 3.64 -2.01 1 3 0 24 240.391 8 ↓
Mid Mid (pH 6-8) 2.31 5.06 -38.62 2 3 1 29 241.399 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-isobutyl-N'-tetrahydropyran-4-yl-ethane-1,2-diamine N-cyclopropyl-N-isobutyl-N'-tetr…

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) 1.99 6.67 -114.33 3 3 2 30 242.407 7 ↓
Hi High (pH 8-9.5) 1.99 3.84 -1.89 1 3 0 24 240.391 7 ↓
Mid Mid (pH 6-8) 1.99 5.49 -32.32 2 3 1 26 241.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(2-methoxyethyl)-N'-tetrahydropyran-4-yl-ethane-1,2-diamine N-cyclopropyl-N-(2-methoxyethyl)…

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) 0.85 2.61 -40.21 2 4 1 38 243.371 8 ↓
Hi High (pH 8-9.5) 0.85 1.44 -3.51 1 4 0 34 242.363 8 ↓
Mid Mid (pH 6-8) 0.85 4.75 -111.25 3 4 2 40 244.379 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(4R)-2,2-dimet…

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 6.11 -114.45 3 3 2 30 228.38 5 ↓
Mid Mid (pH 6-8) 1.68 3.65 -40.54 2 3 1 29 227.372 5 ↓
Mid Mid (pH 6-8) 1.68 4.94 -33.33 2 3 1 26 227.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(4S)-2,2-dimet…

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 6.1 -114.93 3 3 2 30 228.38 5 ↓
Mid Mid (pH 6-8) 1.68 4.91 -33.54 2 3 1 26 227.372 5 ↓
Mid Mid (pH 6-8) 1.68 3.8 -39.83 2 3 1 29 227.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(2R,4R)-2-ethyltetrahydropyran-4-yl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(2R,4R)-2-ethy…

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) 1.73 6.55 -114.05 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.73 3.08 -1.72 1 3 0 24 226.364 6 ↓
Mid Mid (pH 6-8) 1.73 4.24 -39.7 2 3 1 29 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(2S,4R)-2-ethyltetrahydropyran-4-yl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(2S,4R)-2-ethy…

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) 1.73 6.72 -113.64 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.73 3.2 -1.61 1 3 0 24 226.364 6 ↓
Mid Mid (pH 6-8) 1.73 4.26 -39.71 2 3 1 29 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(2R,4S)-2-ethyltetrahydropyran-4-yl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(2R,4S)-2-ethy…

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) 1.73 6.72 -114.04 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.73 3.56 -1.87 1 3 0 24 226.364 6 ↓
Mid Mid (pH 6-8) 1.73 5.84 -33.46 2 3 1 26 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N-[(2S,4S)-2-ethyltetrahydropyran-4-yl]-N'-methyl-ethane-1,2-diamine N'-cyclopropyl-N-[(2S,4S)-2-ethy…

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) 1.73 6.53 -113.61 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.73 2.9 -2.12 1 3 0 24 226.364 6 ↓
Mid Mid (pH 6-8) 1.73 4.08 -40.44 2 3 1 29 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-[(2R,…

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) 1.23 5.7 -113.22 3 3 2 30 214.353 5 ↓
Hi High (pH 8-9.5) 1.23 2.12 -1.89 1 3 0 24 212.337 5 ↓
Mid Mid (pH 6-8) 1.23 4.53 -33.05 2 3 1 26 213.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(2S,4R)-2-methyltetrahydropyran-4-yl]ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-[(2S,…

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) 1.23 5.44 -113.53 3 3 2 30 214.353 5 ↓
Hi High (pH 8-9.5) 1.23 2 -1.8 1 3 0 24 212.337 5 ↓
Mid Mid (pH 6-8) 1.23 4.28 -33.07 2 3 1 26 213.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(2R,4S)-2-methyltetrahydropyran-4-yl]ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-[(2R,…

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) 1.23 5.44 -113.13 3 3 2 30 214.353 5 ↓
Hi High (pH 8-9.5) 1.23 1.81 -2.2 1 3 0 24 212.337 5 ↓
Mid Mid (pH 6-8) 1.23 4.24 -33.24 2 3 1 26 213.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-cyclopropyl-N'-methyl-N-[(2S,4S)-2-methyltetrahydropyran-4-yl]ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-[(2S,…

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) 1.23 5.74 -113.59 3 3 2 30 214.353 5 ↓
Hi High (pH 8-9.5) 1.23 2.25 -2.31 1 3 0 24 212.337 5 ↓
Mid Mid (pH 6-8) 1.23 4.53 -33.17 2 3 1 26 213.345 5 ↓

Parameters Provided:

ring.id = 242803
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 = 242803 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=242803&filter.purchasability=annotated

Embed Link to Results