UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13123222
13123222
3646590
3646590

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Popular Name: 3-[[1-[(2,6-dimethyl-1-piperidyl)carbonylmethyl]indol-3-yl]methylene]indolin-2-one 3-[[1-[(2,6-dimethyl-1-piperidyl…

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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) 4.27 12.25 -13.88 1 5 0 58 413.521 3 ↓

Analogs

3646640
3646640

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Popular Name: 3-[[1-[(4-methyl-1-piperidyl)carbonylmethyl]indol-3-yl]methylene]indolin-2-one 3-[[1-[(4-methyl-1-piperidyl)car…

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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) 3.85 -0.31 -19.05 1 5 0 58 399.494 3 ↓

Analogs

4168780
4168780
3646659
3646659
3646664
3646664

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(2,6-dimethyl-1-piperidyl)carbonylmethyl]indol-3-yl]methylene]-1-methyl-indolin-2-one 3-[[1-[(2,6-dimethyl-1-piperidyl…

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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) 4.34 1.82 -18.19 0 5 0 47 427.548 3 ↓

Analogs

3646659
3646659
3646664
3646664

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(2,6-dimethyl-1-piperidyl)carbonylmethyl]indol-3-yl]methylene]-1-methyl-indolin-2-one 3-[[1-[(2,6-dimethyl-1-piperidyl…

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) 4.34 1.84 -18.16 0 5 0 47 427.548 3 ↓

Parameters Provided:

ring.id = 246632
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = adnet
iocnl1 = google_adsense
iosrcn = adwords
iocnl3 = legacy

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 = 246632 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=246632&filter.purchasability=annotated

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