Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_r5db18ee8rdgo642np9pmvqj05, 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: N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclobutanamine N-[[(3S)-3-methylpyrrolidin-3-yl…

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) 1.29 4.24 -97.41 4 2 2 33 170.3 3 ↓
Hi High (pH 8-9.5) 1.29 2.73 -34.95 3 2 1 29 169.292 3 ↓
Hi High (pH 8-9.5) 1.29 3.15 -36.61 3 2 1 29 169.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclobutanamine N-[[(3R)-3-methylpyrrolidin-3-yl…

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) 1.29 4.28 -98.39 4 2 2 33 170.3 3 ↓
Hi High (pH 8-9.5) 1.29 3.06 -35.71 3 2 1 29 169.292 3 ↓
Hi High (pH 8-9.5) 1.29 2.83 -35.46 3 2 1 29 169.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]cyclobutanamine N-[[(3S)-3-ethylpyrrolidin-3-yl]…

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) 1.62 4.78 -99.44 4 2 2 33 184.327 4 ↓
Hi High (pH 8-9.5) 1.62 3.72 -37.39 3 2 1 29 183.319 4 ↓
Hi High (pH 8-9.5) 1.62 3.33 -34.27 3 2 1 29 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]cyclobutanamine N-[[(3R)-3-ethylpyrrolidin-3-yl]…

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) 1.62 4.65 -100.18 4 2 2 33 184.327 4 ↓
Hi High (pH 8-9.5) 1.62 3.21 -36.08 3 2 1 29 183.319 4 ↓
Hi High (pH 8-9.5) 1.62 3.55 -35.97 3 2 1 29 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclobutanamine N-[[(3S)-3-propylpyrrolidin-3-yl…

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) 2.18 5.53 -101.6 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.18 4.49 -37.92 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.18 4.09 -34.93 3 2 1 29 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclobutanamine N-[[(3R)-3-propylpyrrolidin-3-yl…

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) 2.18 5.39 -102.21 4 2 2 33 198.354 5 ↓
Hi High (pH 8-9.5) 2.18 3.94 -36.43 3 2 1 29 197.346 5 ↓
Hi High (pH 8-9.5) 2.18 4.3 -36.43 3 2 1 29 197.346 5 ↓

Parameters Provided:

ring.id = 306909
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 = 306909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=306909&filter.purchasability=annotated

Embed Link to Results