UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42409258
42409258

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Popular Name: N-(3-indolin-1-ylpropyl)aniline N-(3-indolin-1-ylpropyl)aniline

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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) 3.79 9.23 -4.79 1 2 0 15 252.361 5 ↓

Analogs

42409340
42409340
42409341
42409341
42409342
42409342
42409343
42409343
42409344
42409344

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Popular Name: N-[3-[(2R)-2-methylindolin-1-yl]propyl]aniline N-[3-[(2R)-2-methylindolin-1-yl]…

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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) 4.12 9.79 -4.56 1 2 0 15 266.388 5 ↓
Lo Low (pH 4.5-6) 4.12 9.77 -34.07 2 2 1 16 267.396 5 ↓

Analogs

42409340
42409340
42409341
42409341
42409342
42409342
42409343
42409343
42409344
42409344

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2S)-2-methylindolin-1-yl]propyl]aniline N-[3-[(2S)-2-methylindolin-1-yl]…

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) 4.12 9.87 -4.58 1 2 0 15 266.388 5 ↓
Lo Low (pH 4.5-6) 4.12 9.79 -34.53 2 2 1 16 267.396 5 ↓

Parameters Provided:

ring.id = 68845
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 = 68845 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68845&filter.purchasability=annotated

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