UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,6-dihydro-4H-cyclopenta[c]thiophen-5-yl 5,6-dihydro-4H-cyclopenta[c]thio…

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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) 2.30 7.31 -10.7 2 4 0 50 294.401 3 ↓
Hi High (pH 8-9.5) 1.55 6.25 -34.22 1 4 -1 57 293.393 2 ↓

Analogs

35016725
35016725

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Popular Name: [(6R)-1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-yl] [(6R)-1,3-dichloro-5,6-dihydro-4…

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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) 3.97 8.45 -10.26 2 4 0 50 363.291 3 ↓
Hi High (pH 8-9.5) 3.21 7.52 -33.89 1 4 -1 57 362.283 2 ↓

Analogs

35016724
35016724

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Popular Name: [(6S)-1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-yl] [(6S)-1,3-dichloro-5,6-dihydro-4…

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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) 3.97 8.37 -10.42 2 4 0 50 363.291 3 ↓
Hi High (pH 8-9.5) 3.21 7.4 -34.91 1 4 -1 57 362.283 2 ↓

Analogs

35016745
35016745

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Popular Name: [(6R)-3-chloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-yl] [(6R)-3-chloro-5,6-dihydro-4H-cy…

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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) 3.17 7.94 -10.52 2 4 0 50 328.846 3 ↓
Hi High (pH 8-9.5) 2.41 6.9 -33.39 1 4 -1 57 327.838 2 ↓

Analogs

35016743
35016743

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Popular Name: [(6S)-3-chloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-yl] [(6S)-3-chloro-5,6-dihydro-4H-cy…

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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) 3.17 7.94 -10.59 2 4 0 50 328.846 3 ↓
Hi High (pH 8-9.5) 2.41 6.89 -33.69 1 4 -1 57 327.838 2 ↓

Parameters Provided:

ring.id = 14793
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 = 14793 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14793&filter.purchasability=annotated

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