Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_t63qmt2q2vlepsojd0unjq2u76, 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: 3-[(3S)-tetrahydrofuran-3-yl]pyridin-4-amine 3-[(3S)-tetrahydrofuran-3-yl]pyr…

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) 0.20 1.75 -30.49 3 3 1 49 165.216 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-tetrahydrofuran-3-yl]pyridin-4-amine 3-[(3R)-tetrahydrofuran-3-yl]pyr…

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) 0.20 1.74 -31.83 3 3 1 49 165.216 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-tetrahydrofuran-3-yl]pyridin-2-amine 3-[(3S)-tetrahydrofuran-3-yl]pyr…

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) 0.56 2.71 -31.35 3 3 1 49 165.216 1 ↓
Mid Mid (pH 6-8) 0.56 2.24 -5.13 2 3 0 48 164.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-tetrahydrofuran-3-yl]pyridin-2-amine 3-[(3R)-tetrahydrofuran-3-yl]pyr…

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) 0.56 2.7 -31.99 3 3 1 49 165.216 1 ↓
Mid Mid (pH 6-8) 0.56 2.23 -5.15 2 3 0 48 164.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-3-pyridyl)tetrahydrofuran-3-ol (3R)-3-(2-amino-3-pyridyl)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) -0.02 -0.53 -5.57 3 4 0 68 180.207 1 ↓
Mid Mid (pH 6-8) -0.02 -0.06 -31.4 4 4 1 70 181.215 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-3-pyridyl)tetrahydrofuran-3-ol (3S)-3-(2-amino-3-pyridyl)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) -0.02 -0.7 -5.51 3 4 0 68 180.207 1 ↓
Mid Mid (pH 6-8) -0.02 -0.22 -33.15 4 4 1 70 181.215 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-amino-3-pyridyl)tetrahydrofuran-3-ol (3R)-3-(4-amino-3-pyridyl)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) -0.38 -0.86 -32.66 4 4 1 70 181.215 1 ↓
Hi High (pH 8-9.5) -0.38 -1.32 -5.43 3 4 0 68 180.207 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-amino-3-pyridyl)tetrahydrofuran-3-ol (3S)-3-(4-amino-3-pyridyl)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) -0.38 -1.07 -33.97 4 4 1 70 181.215 1 ↓
Hi High (pH 8-9.5) -0.38 -1.54 -5.74 3 4 0 68 180.207 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-4-methyl-3-pyridyl)tetrahydrofuran-3-ol (3R)-3-(2-amino-4-methyl-3-pyrid…

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) 0.36 0.62 -28.89 4 4 1 70 195.242 1 ↓
Mid Mid (pH 6-8) 0.36 0.16 -5.99 3 4 0 68 194.234 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-4-methyl-3-pyridyl)tetrahydrofuran-3-ol (3S)-3-(2-amino-4-methyl-3-pyrid…

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) 0.36 -0.08 -32.19 4 4 1 70 195.242 1 ↓
Mid Mid (pH 6-8) 0.36 -0.54 -6.82 3 4 0 68 194.234 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(3S)-tetrahydrofuran-3-yl]pyridin-2-amine 4-methyl-3-[(3S)-tetrahydrofuran…

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) 0.94 3.65 -27.88 3 3 1 49 179.243 1 ↓
Hi High (pH 8-9.5) 0.94 3.18 -5.35 2 3 0 48 178.235 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(3R)-tetrahydrofuran-3-yl]pyridin-2-amine 4-methyl-3-[(3R)-tetrahydrofuran…

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) 0.94 3.49 -29.39 3 3 1 49 179.243 1 ↓
Hi High (pH 8-9.5) 0.94 3.01 -4.94 2 3 0 48 178.235 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-5-methyl-3-pyridyl)tetrahydrofuran-3-ol (3R)-3-(2-amino-5-methyl-3-pyrid…

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) 0.41 0.1 -5.4 3 4 0 68 194.234 1 ↓
Mid Mid (pH 6-8) 0.41 0.58 -29.97 4 4 1 70 195.242 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-5-methyl-3-pyridyl)tetrahydrofuran-3-ol (3S)-3-(2-amino-5-methyl-3-pyrid…

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) 0.41 -0.06 -5.37 3 4 0 68 194.234 1 ↓
Mid Mid (pH 6-8) 0.41 0.41 -31.72 4 4 1 70 195.242 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[(3S)-tetrahydrofuran-3-yl]pyridin-2-amine 5-methyl-3-[(3S)-tetrahydrofuran…

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) 0.99 3.36 -30.48 3 3 1 49 179.243 1 ↓
Mid Mid (pH 6-8) 0.99 2.88 -5.14 2 3 0 48 178.235 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[(3R)-tetrahydrofuran-3-yl]pyridin-2-amine 5-methyl-3-[(3R)-tetrahydrofuran…

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) 0.99 3.35 -30.95 3 3 1 49 179.243 1 ↓
Mid Mid (pH 6-8) 0.99 2.87 -5.06 2 3 0 48 178.235 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-amino-5-chloro-3-pyridyl)tetrahydrofuran-3-ol (3R)-3-(2-amino-5-chloro-3-pyrid…

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) 0.81 -0.04 -4.38 3 4 0 68 214.652 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-amino-5-chloro-3-pyridyl)tetrahydrofuran-3-ol (3S)-3-(2-amino-5-chloro-3-pyrid…

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) 0.81 -0.21 -4.52 3 4 0 68 214.652 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-3-[(3S)-tetrahydrofuran-3-yl]pyridin-2-amine 5-chloro-3-[(3S)-tetrahydrofuran…

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) 1.38 2.73 -4.86 2 3 0 48 198.653 1 ↓
Lo Low (pH 4.5-6) 1.38 3.22 -33.03 3 3 1 49 199.661 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-3-[(3R)-tetrahydrofuran-3-yl]pyridin-2-amine 5-chloro-3-[(3R)-tetrahydrofuran…

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) 1.38 2.72 -4.71 2 3 0 48 198.653 1 ↓
Lo Low (pH 4.5-6) 1.38 3.2 -33.47 3 3 1 49 199.661 1 ↓

Parameters Provided:

ring.id = 476999
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 = 476999 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=476999&filter.purchasability=annotated

Embed Link to Results