Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_2sib8p5841te66orlnvql90tr0, 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: 4-ethyl-2-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-ethyl-2-[5-[(1R,2S)-2-methylcy…

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) 2.93 6.69 -9.48 1 4 0 59 244.294 3 ↓
Hi High (pH 8-9.5) 3.38 4.74 -54.18 0 4 -1 62 243.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-ethyl-2-[5-[(1S,2S)-2-methylcy…

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) 2.93 6.7 -9.34 1 4 0 59 244.294 3 ↓
Hi High (pH 8-9.5) 3.38 4.75 -53.75 0 4 -1 62 243.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-ethyl-2-[5-[(1R,2R)-2-methylcy…

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) 2.93 6.7 -9.36 1 4 0 59 244.294 3 ↓
Hi High (pH 8-9.5) 3.38 4.75 -53.78 0 4 -1 62 243.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-ethyl-2-[5-[(1S,2R)-2-methylcy…

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) 2.93 6.69 -9.49 1 4 0 59 244.294 3 ↓
Hi High (pH 8-9.5) 3.38 4.74 -54.18 0 4 -1 62 243.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-2-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-isopropyl-2-[5-[(1S,2R)-2-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) 3.41 7.4 -8.13 1 4 0 59 258.321 3 ↓
Hi High (pH 8-9.5) 3.87 5.18 -54.63 0 4 -1 62 257.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-2-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-isopropyl-2-[5-[(1S,2S)-2-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) 3.41 7.4 -7.99 1 4 0 59 258.321 3 ↓
Hi High (pH 8-9.5) 3.87 5.19 -54.08 0 4 -1 62 257.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-2-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-isopropyl-2-[5-[(1R,2R)-2-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) 3.41 7.4 -7.99 1 4 0 59 258.321 3 ↓
Hi High (pH 8-9.5) 3.87 5.19 -54.15 0 4 -1 62 257.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-2-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-isopropyl-2-[5-[(1R,2S)-2-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) 3.41 7.4 -8.11 1 4 0 59 258.321 3 ↓
Hi High (pH 8-9.5) 3.87 5.18 -54.61 0 4 -1 62 257.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-2-[5-[(1S,2R)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-tert-butyl-2-[5-[(1S,2R)-2-met…

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) 4.08 7.79 -8.08 1 4 0 59 272.348 3 ↓
Hi High (pH 8-9.5) 4.53 5.93 -55.04 0 4 -1 62 271.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-2-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-tert-butyl-2-[5-[(1S,2S)-2-met…

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) 4.08 7.79 -7.92 1 4 0 59 272.348 3 ↓
Hi High (pH 8-9.5) 4.53 5.95 -54.59 0 4 -1 62 271.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-2-[5-[(1R,2R)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-tert-butyl-2-[5-[(1R,2R)-2-met…

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) 4.08 7.79 -7.9 1 4 0 59 272.348 3 ↓
Hi High (pH 8-9.5) 4.53 5.94 -54.64 0 4 -1 62 271.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-2-[5-[(1R,2S)-2-methylcyclopropyl]-2-furyl]-1H-pyrimidin-6-one 4-tert-butyl-2-[5-[(1R,2S)-2-met…

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) 4.08 7.79 -8.09 1 4 0 59 272.348 3 ↓
Hi High (pH 8-9.5) 4.53 5.93 -55.09 0 4 -1 62 271.34 3 ↓

Parameters Provided:

ring.id = 111037
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 = 111037 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=111037&filter.purchasability=annotated

Embed Link to Results