UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2-methylindolin-1-yl)carbonylmethyl (2-methylindolin-1-yl)carbonylme…

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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) 3.36 -1.1 -14.69 2 7 0 87 409.486 7 ↓

Analogs

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Popular Name: (2-methylindolin-1-yl)carbonylmethyl (2-methylindolin-1-yl)carbonylme…

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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) 3.36 -1.1 -14.72 2 7 0 87 409.486 7 ↓

Analogs

3444594
3444594
5657306
5657306
5657308
5657308

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Popular Name: (2-methylindolin-1-yl)carbonylmethyl (2-methylindolin-1-yl)carbonylme…

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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) 3.45 11.84 -11.25 0 7 0 92 354.362 5 ↓

Analogs

3444594
3444594
5657306
5657306
5657308
5657308

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methylindolin-1-yl)carbonylmethyl (2-methylindolin-1-yl)carbonylme…

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) 3.45 11.83 -11.24 0 7 0 92 354.362 5 ↓

Analogs

4352358
4352358

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Popular Name: (2-indolin-1-yl-2-oxo-ethyl) (2-indolin-1-yl-2-oxo-ethyl)

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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) 3.18 9.87 -18.72 1 6 0 76 352.39 6 ↓

Analogs

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Popular Name: (2-indolin-1-yl-2-oxo-ethyl) (2-indolin-1-yl-2-oxo-ethyl)

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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) 1.97 6.91 -16.2 2 6 0 90 324.336 5 ↓

Analogs

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Popular Name: [2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl] [2-[(2R)-2-methylindolin-1-yl]-2…

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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 7.55 -14.8 2 6 0 90 338.363 5 ↓

Analogs

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Popular Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] [2-[(2S)-2-methylindolin-1-yl]-2…

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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 7.58 -14.8 2 6 0 90 338.363 5 ↓

Parameters Provided:

ring.id = 1623
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 = 1623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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