UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5R)-N-cyclopentyl-6,7,8,9-tetra…

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) 3.46 9.56 -38.1 2 1 1 17 230.375 2 ↓

Analogs

21787105
21787105
21787108
21787108
21787112
21787112
21787925
21787925
21787927
21787927

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (5S)-N-cyclopentyl-6,7,8,9-tetra…

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) 3.46 9.42 -37.98 2 1 1 17 230.375 2 ↓

Analogs

5785135
5785135
5202725
5202725

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(cyclopentylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic (5R)-5-(cyclopentylamino)-6,7,8,…

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) 3.68 8.89 -29.64 2 3 0 57 273.376 3 ↓

Analogs

5785135
5785135
5202725
5202725

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(cyclopentylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic (5S)-5-(cyclopentylamino)-6,7,8,…

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) 3.68 9.45 -29.59 2 3 0 57 273.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-5-(cyclopentylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]methanol [(5R)-5-(cyclopentylamino)-6,7,8…

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) 3.80 5.88 -30.23 3 2 1 37 260.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-5-(cyclopentylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]methanol [(5S)-5-(cyclopentylamino)-6,7,8…

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) 3.80 6.16 -32.7 3 2 1 37 260.401 3 ↓

Parameters Provided:

ring.id = 59826
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 = 59826 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=59826&filter.purchasability=annotated

Embed Link to Results