Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jn3ir4h83cg55d8hnt1r3clg72, 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: [(S)-[(2R,3S,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]-hydroxy-methyl]phosphonic [(S)-[(2R,3S,4R)-4-(6-aminopurin…

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) -2.07 -5.53 -50.09 5 11 -1 180 330.217 4 ↓
Mid Mid (pH 6-8) -2.07 -4.37 -131.6 4 11 -2 183 329.209 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(S)-[(2R,3S,4S)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]-hydroxy-methyl]phosphonic [(S)-[(2R,3S,4S)-4-(6-aminopurin…

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) -2.07 -5.42 -51 5 11 -1 180 330.217 4 ↓
Mid Mid (pH 6-8) -2.07 -4.27 -131.54 4 11 -2 183 329.209 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(S)-[(2R,3R,4S)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]-hydroxy-methyl]phosphonic [(S)-[(2R,3R,4S)-4-(6-aminopurin…

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) -2.07 -5.18 -41.41 5 11 -1 180 330.217 4 ↓
Mid Mid (pH 6-8) -2.07 -4.06 -124.03 4 11 -2 183 329.209 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(S)-[(2R,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]-hydroxy-methyl]phosphonic [(S)-[(2R,3R,4R)-4-(6-aminopurin…

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) -2.07 -5.66 -42.01 5 11 -1 180 330.217 4 ↓
Mid Mid (pH 6-8) -2.07 -4.55 -125.52 4 11 -2 183 329.209 4 ↓

Analogs

26152881
26152881
26152888
26152888

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3R,4S)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]ethylphosphonic 2-[(2S,3R,4S)-4-(6-aminopurin-9-…

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) -1.14 -1.16 -42.64 4 10 -1 159 328.245 5 ↓
Mid Mid (pH 6-8) -1.14 -0.05 -126.31 3 10 -2 162 327.237 5 ↓

Analogs

26152881
26152881
26152888
26152888

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]ethylphosphonic 2-[(2S,3R,4R)-4-(6-aminopurin-9-…

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) -1.14 -1.65 -42.79 4 10 -1 159 328.245 5 ↓
Mid Mid (pH 6-8) -1.14 -0.53 -126.37 3 10 -2 162 327.237 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(E)-2-[(2R,3R,4S)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]vinyl]phosphonic [(E)-2-[(2R,3R,4S)-4-(6-aminopur…

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 -1.11 -45.41 4 10 -1 159 326.229 4 ↓
Mid Mid (pH 6-8) -1.23 0.01 -131.44 3 10 -2 162 325.221 4 ↓
Mid Mid (pH 6-8) -1.23 -1.11 -45.42 4 10 -1 159 326.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(E)-2-[(2R,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]vinyl]phosphonic [(E)-2-[(2R,3R,4R)-4-(6-aminopur…

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 -1.93 -46.47 4 10 -1 159 326.229 4 ↓
Mid Mid (pH 6-8) -1.23 -0.81 -133.31 3 10 -2 162 325.221 4 ↓
Mid Mid (pH 6-8) -1.23 -1.93 -46.47 4 10 -1 159 326.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,4S)-4-(6-aminopurin-9-yl)-3-fluoro-oxetan-2-yl]methanol [(2S,3R,4S)-4-(6-aminopurin-9-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) -0.24 0.32 -11.26 3 7 0 99 239.21 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-fluoro-oxetan-2-yl]methanol [(2S,3R,4R)-4-(6-aminopurin-9-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) -0.24 -0.17 -8.9 3 7 0 99 239.21 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-fluoro-oxetan-2-yl]methanol [(2S,3S,4R)-4-(6-aminopurin-9-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) -0.24 -0.02 -11.49 3 7 0 99 239.21 2 ↓

Parameters Provided:

ring.id = 148638
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 = 148638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=148638&filter.purchasability=annotated

Embed Link to Results