Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_uopmtvhnhmv63luocnind4h792, 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: 6-amino-5-[[(1S)-1-cyclopentylethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione 6-amino-5-[[(1S)-1-cyclopentylet…

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) 1.55 3.39 -13.43 4 7 0 102 296.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1R)-1-cyclopentylethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione 6-amino-5-[[(1R)-1-cyclopentylet…

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) 1.55 3.19 -13.48 4 7 0 102 296.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1S)-1-cyclopentylethyl]amino]-3-methyl-1-propyl-pyrimidine-2,4-dione 6-amino-5-[[(1S)-1-cyclopentylet…

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) 2.51 6.69 -10.15 3 6 0 82 294.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1R)-1-cyclopentylethyl]amino]-3-methyl-1-propyl-pyrimidine-2,4-dione 6-amino-5-[[(1R)-1-cyclopentylet…

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) 2.51 6.49 -10.28 3 6 0 82 294.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1S)-1-cyclopentylethyl]amino]-1-isobutyl-pyrimidine-2,4-dione 6-amino-5-[[(1S)-1-cyclopentylet…

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) 2.68 4.86 -10.25 4 6 0 93 294.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1R)-1-cyclopentylethyl]amino]-1-isobutyl-pyrimidine-2,4-dione 6-amino-5-[[(1R)-1-cyclopentylet…

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) 2.68 4.67 -10.29 4 6 0 93 294.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1S)-1-cyclopentylethyl]amino]-1-ethyl-pyrimidine-2,4-dione 6-amino-5-[[(1S)-1-cyclopentylet…

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) 1.94 3.79 -10.57 4 6 0 93 266.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1R)-1-cyclopentylethyl]amino]-1-ethyl-pyrimidine-2,4-dione 6-amino-5-[[(1R)-1-cyclopentylet…

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) 1.94 3.6 -10.69 4 6 0 93 266.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1S)-1-cyclopentylethyl]amino]-1-propyl-pyrimidine-2,4-dione 6-amino-5-[[(1S)-1-cyclopentylet…

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 4.54 -10.28 4 6 0 93 280.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1R)-1-cyclopentylethyl]amino]-1-propyl-pyrimidine-2,4-dione 6-amino-5-[[(1R)-1-cyclopentylet…

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 4.34 -10.41 4 6 0 93 280.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1S)-1-cyclopentylethyl]amino]-1-methyl-pyrimidine-2,4-dione 6-amino-5-[[(1S)-1-cyclopentylet…

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) 1.56 2.88 -10.69 4 6 0 93 252.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1R)-1-cyclopentylethyl]amino]-1-methyl-pyrimidine-2,4-dione 6-amino-5-[[(1R)-1-cyclopentylet…

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) 1.56 2.68 -10.79 4 6 0 93 252.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1-butyl-5-[[(1S)-1-cyclopentylethyl]amino]pyrimidine-2,4-dione 6-amino-1-butyl-5-[[(1S)-1-cyclo…

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) 3.00 5.32 -10.34 4 6 0 93 294.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1-butyl-5-[[(1R)-1-cyclopentylethyl]amino]pyrimidine-2,4-dione 6-amino-1-butyl-5-[[(1R)-1-cyclo…

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) 3.00 5.13 -10.49 4 6 0 93 294.399 6 ↓

Parameters Provided:

ring.id = 533954
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 = 533954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=533954&filter.purchasability=annotated

Embed Link to Results