Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_q4a41tpbt21o0odt6jpg3t2re1, 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

35765929
35765929
35765931
35765931

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-cyclopentyl-N2-methyl-indane-1,2-diamine (1S,2R)-N2-cyclopentyl-N2-methyl…

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) 0.84 7.62 -32.93 3 2 1 30 231.363 2 ↓
Mid Mid (pH 6-8) 0.84 7.71 -122.81 4 2 2 32 232.371 2 ↓

Analogs

23066315
23066315
20260246
20260246
35765929
35765929
35765931
35765931

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-cyclopentyl-N2-methyl-indane-1,2-diamine (1S,2S)-N2-cyclopentyl-N2-methyl…

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) 0.84 6.4 -32.41 3 2 1 30 231.363 2 ↓
Mid Mid (pH 6-8) 0.84 6.7 -117.64 4 2 2 32 232.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(cyclopentylamino)indan-2-yl]methanol [2-(cyclopentylamino)indan-2-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) 2.72 5.11 -41.26 3 2 1 37 232.347 3 ↓
Hi High (pH 8-9.5) 2.72 4.2 -2.94 2 2 0 32 231.339 3 ↓

Parameters Provided:

ring.id = 144639
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 = 144639 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=144639&filter.purchasability=annotated

Embed Link to Results