Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_a2bmt3cfhdsko4h694haerdc30, 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: (1R)-1-(1-adamantyl)-N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-ethane-1,2-diamine (1R)-1-(1-adamantyl)-N'-(cyclopr…

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) 4.30 10.86 -116.96 3 2 2 21 292.511 7 ↓
Hi High (pH 8-9.5) 4.30 10.97 -36.59 2 2 1 20 291.503 7 ↓
Mid Mid (pH 6-8) 4.30 10.67 -32.25 2 2 1 16 291.503 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-adamantyl)-N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-ethane-1,2-diamine (1S)-1-(1-adamantyl)-N'-(cyclopr…

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) 4.30 11.06 -122.33 3 2 2 21 292.511 7 ↓
Hi High (pH 8-9.5) 4.30 10.99 -36.87 2 2 1 20 291.503 7 ↓
Mid Mid (pH 6-8) 4.30 10.14 -34.28 2 2 1 16 291.503 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-adamantyl)-N'-(cyclopropylmethyl)-N'-ethyl-ethane-1,2-diamine (1R)-1-(1-adamantyl)-N'-(cyclopr…

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) 3.39 9.17 -133.27 4 2 2 32 278.484 6 ↓
Hi High (pH 8-9.5) 3.39 7.39 -41.97 3 2 1 31 277.476 6 ↓
Mid Mid (pH 6-8) 3.39 8.85 -35.61 3 2 1 30 277.476 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-adamantyl)-N'-(cyclopropylmethyl)-N'-ethyl-ethane-1,2-diamine (1S)-1-(1-adamantyl)-N'-(cyclopr…

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) 3.39 9.47 -131.11 4 2 2 32 278.484 6 ↓
Hi High (pH 8-9.5) 3.39 7.34 -41.56 3 2 1 31 277.476 6 ↓
Mid Mid (pH 6-8) 3.39 9.07 -31.84 3 2 1 30 277.476 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-adamantyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol (1R)-1-(1-adamantyl)-2-[cyclopro…

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) 3.88 8.57 -35.66 2 2 1 25 278.46 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-adamantyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol (1S)-1-(1-adamantyl)-2-[cyclopro…

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) 3.88 8.84 -35.18 2 2 1 25 278.46 6 ↓

Parameters Provided:

ring.id = 325128
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 = 325128 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=325128&filter.purchasability=annotated

Embed Link to Results