UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35478674
35478674

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.48 11.45 -10.61 0 7 0 81 366.421 5 ↓

Analogs

35478661
35478661
35478662
35478662
35478672
35478672
35478674
35478674
35478679
35478679

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-3-phenyl-isoxazolo[4,5-d]pyrimidin-7-amine N-isopentyl-3-phenyl-isoxazolo[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) 3.43 8.35 -6.85 1 5 0 64 282.347 5 ↓

Analogs

35478661
35478661
35478672
35478672
35478674
35478674
35478683
35478683
35478685
35478685

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-N-[(2R)-2-phenylpropyl]isoxazolo[4,5-d]pyrimidin-7-amine 3-phenyl-N-[(2R)-2-phenylpropyl]…

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) 4.38 10.64 -7.74 1 5 0 64 330.391 5 ↓

Analogs

35478661
35478661
35478672
35478672
35478674
35478674
35478683
35478683
35478685
35478685

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-N-[(2S)-2-phenylpropyl]isoxazolo[4,5-d]pyrimidin-7-amine 3-phenyl-N-[(2S)-2-phenylpropyl]…

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) 4.38 10.64 -7.74 1 5 0 64 330.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-phenyl-isoxazolo[4,5-d]pyrimidin-7-amine N-(4-chloro-2-methoxy-5-methyl-p…

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) 4.95 10.16 -7.96 1 6 0 73 366.808 4 ↓

Analogs

35475881
35475881
35478661
35478661
35478662
35478662
35478676
35478676
35478677
35478677

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-phenylethyl]-3-(p-tolyl)isoxazolo[4,5-d]pyrimidin-7-amine N-[(1S)-1-phenylethyl]-3-(p-toly…

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) 4.18 10.82 -7.42 1 5 0 64 330.391 4 ↓

Analogs

35475881
35475881
35478661
35478661
35478662
35478662
35478676
35478676
35478677
35478677

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-phenylethyl]-3-(p-tolyl)isoxazolo[4,5-d]pyrimidin-7-amine N-[(1R)-1-phenylethyl]-3-(p-toly…

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) 4.18 10.82 -7.4 1 5 0 64 330.391 4 ↓

Analogs

35475881
35475881
35478674
35478674
35478690
35478690
35478694
35478694
35478699
35478699

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-5-ethyl-3-phenyl-isoxazolo[4,5-d]pyrimidin-7-amine N-cyclohexyl-5-ethyl-3-phenyl-is…

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) 4.34 9.55 -6.75 1 5 0 64 322.412 4 ↓

Analogs

35475881
35475881
35478690
35478690
35478694
35478694
35478699
35478699
35478701
35478701

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-methyl-3-phenyl-isoxazolo[4,5-d]pyrimidin-7-amine 5-ethyl-N-methyl-3-phenyl-isoxaz…

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) 2.44 6.05 -7.78 1 5 0 64 254.293 3 ↓

Analogs

35478690
35478690
35478694
35478694
35478701
35478701
35478724
35478724

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[2-(2-furyl)ethyl]-3-phenyl-isoxazolo[4,5-d]pyrimidin-7-amine 5-ethyl-N-[2-(2-furyl)ethyl]-3-p…

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) 3.50 8.75 -9.39 1 6 0 77 334.379 6 ↓

Parameters Provided:

ring.id = 390419
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 = 390419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=390419&filter.purchasability=annotated

Embed Link to Results