UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48998048
48998048
48998049
48998049
48999991
48999991
48999993
48999993
49031342
49031342

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,6S,6aS)-N-cyclopropyl-4-[6-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]purin-9-yl]-2 (3aR,4R,6S,6aS)-N-cyclopropyl-4-…

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) 0.27 4.96 -13.3 3 12 0 144 476.534 8 ↓

Analogs

48998048
48998048
48998049
48998049
48999991
48999991
48999993
48999993
49031342
49031342

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,6S,6aS)-4-[6-[bis[(2R)-2-hydroxypropyl]amino]purin-9-yl]-N-cyclopropyl-2,2-dimethyl-3a,4,6,6 (3aR,4R,6S,6aS)-4-[6-[bis[(2R)-2…

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) 0.27 4.55 -12.57 3 12 0 144 476.534 8 ↓

Analogs

48998048
48998048
48998049
48998049
48999991
48999991
48999993
48999993
49031342
49031342

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,6S,6aS)-4-[6-[bis[(2S)-2-hydroxypropyl]amino]purin-9-yl]-N-cyclopropyl-2,2-dimethyl-3a,4,6,6 (3aR,4R,6S,6aS)-4-[6-[bis[(2S)-2…

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) 0.27 5.03 -14.83 3 12 0 144 476.534 8 ↓

Analogs

48998048
48998048
48998049
48998049
48999991
48999991
48999993
48999993
26942237
26942237

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-6-[6-[2-cyanoethyl(methyl)amino]purin-9-yl]-N-cyclopropyl-2,2-dimethyl-3a,4,6,6a-tet (3aS,4S,6R,6aR)-6-[6-[2-cyanoeth…

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) 0.26 8.88 -15.49 1 11 0 127 427.465 6 ↓

Parameters Provided:

ring.id = 603260
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 = 603260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=603260&filter.purchasability=annotated

Embed Link to Results