UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41195460
41195460
41191761
41191761
41191764
41191764

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Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(3-thienyl)methyl]propan-1-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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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) 3.37 7.7 -34.55 2 2 1 29 279.454 5 ↓
Mid Mid (pH 6-8) 3.37 6.53 -5.67 1 2 0 25 278.446 5 ↓

Analogs

41191761
41191761
41191764
41191764
41195458
41195458

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(3-thienyl)methyl]propan-1-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.37 7.7 -34.48 2 2 1 29 279.454 5 ↓
Mid Mid (pH 6-8) 3.37 6.6 -5.21 1 2 0 25 278.446 5 ↓

Analogs

41197647
41197647
41191761
41191761
41191764
41191764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(3-thienyl)methyl]propan-2-amine N-[(S)-5,6-dihydro-4H-cyclopenta…

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) 3.17 7.43 -31.67 2 2 1 29 279.454 4 ↓
Mid Mid (pH 6-8) 3.17 6.28 -5.47 1 2 0 25 278.446 4 ↓

Analogs

41191761
41191761
41191764
41191764
41197645
41197645

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(3-thienyl)methyl]propan-2-amine N-[(R)-5,6-dihydro-4H-cyclopenta…

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) 3.17 7.46 -31.62 2 2 1 29 279.454 4 ↓
Mid Mid (pH 6-8) 3.17 6.51 -5.15 1 2 0 25 278.446 4 ↓

Parameters Provided:

ring.id = 521013
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 = 521013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=521013&filter.purchasability=annotated

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