UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49768030
49768030
31970523
31970523

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]m [(2R,3S,4R,5R)-5-(2-amino-7-meth…

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) -4.22 -3.49 -369.64 5 19 -4 299 535.192 8 ↓
Mid Mid (pH 6-8) -4.22 -4.65 -232.56 6 19 -3 296 536.2 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-2-amino-9-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(1-piperidyl)-7 (8R)-2-amino-9-[(2R,3S,4S,5S)-3,…

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) -0.90 -5.09 -16.88 7 11 0 160 368.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-2-amino-9-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(1-piperidyl)-7 (8R)-2-amino-9-[(2S,3S,4S,5S)-3,…

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) -0.90 -5.97 -16.91 7 11 0 160 368.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-2-amino-9-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(phenethylamino (8S)-2-amino-9-[(2R,3S,4S,5S)-3,…

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) -0.25 -4.32 -17.37 8 11 0 169 404.427 6 ↓
Mid Mid (pH 6-8) -0.25 -2.93 -49.48 9 11 1 174 405.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-2-amino-9-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(phenethylamino (8S)-2-amino-9-[(2S,3S,4S,5S)-3,…

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) -0.25 -5.17 -17.46 8 11 0 169 404.427 6 ↓

Parameters Provided:

ring.id = 109639
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 = 109639 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=109639&filter.purchasability=annotated

Embed Link to Results