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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-[2-(azepan-1-yl)ethylamino]pyrrolidine-2,5-dione (3R)-3-[2-(azepan-1-yl)ethylamin…

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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) 0.09 1.77 -40.07 3 5 1 63 240.327 4 ↓
Hi High (pH 8-9.5) 0.09 -0.3 -6.95 2 5 0 61 239.319 4 ↓
Lo Low (pH 4.5-6) 0.09 3 -128.23 4 5 2 67 241.335 4 ↓

Analogs

40768025
40768025
40768032
40768032

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Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-[(1R)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[2-(azepan-1-yl)ethylamin…

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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) 1.54 6.67 -40.42 2 5 1 54 296.435 6 ↓
Hi High (pH 8-9.5) 1.54 4.84 -5.91 1 5 0 53 295.427 6 ↓
Lo Low (pH 4.5-6) 1.54 7.92 -130.8 3 5 2 58 297.443 6 ↓

Analogs

40768032
40768032
40768023
40768023

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Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-[(1S)-1-methylpropyl]pyrrolidine-2,5-dione (3S)-3-[2-(azepan-1-yl)ethylamin…

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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) 1.54 6.67 -40.58 2 5 1 54 296.435 6 ↓
Hi High (pH 8-9.5) 1.54 4.84 -5.87 1 5 0 53 295.427 6 ↓
Lo Low (pH 4.5-6) 1.54 7.92 -129.97 3 5 2 58 297.443 6 ↓

Analogs

40768035
40768035
40768038
40768038

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Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[2-(azepan-1-yl)ethylamin…

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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) 1.21 5.8 -41.35 2 5 1 54 282.408 6 ↓
Hi High (pH 8-9.5) 1.21 3.96 -6.44 1 5 0 53 281.4 6 ↓
Lo Low (pH 4.5-6) 1.21 7.06 -130.8 3 5 2 58 283.416 6 ↓

Analogs

40768023
40768023
40768025
40768025

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Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-isopropyl-pyrrolidine-2,5-dione (3S)-3-[2-(azepan-1-yl)ethylamin…

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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) 1.00 5.6 -40.79 2 5 1 54 282.408 5 ↓
Hi High (pH 8-9.5) 1.00 3.77 -6.14 1 5 0 53 281.4 5 ↓
Lo Low (pH 4.5-6) 1.00 6.85 -129.9 3 5 2 58 283.416 5 ↓

Analogs

40768038
40768038
40768029
40768029

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Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-methyl-pyrrolidine-2,5-dione (3S)-3-[2-(azepan-1-yl)ethylamin…

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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) 0.33 4.05 -41.75 2 5 1 54 254.354 4 ↓
Hi High (pH 8-9.5) 0.33 2.22 -6.89 1 5 0 53 253.346 4 ↓
Lo Low (pH 4.5-6) 0.33 5.31 -130.13 3 5 2 58 255.362 4 ↓

Analogs

40768029
40768029
40768035
40768035

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[2-(azepan-1-yl)ethylamin…

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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) 0.71 5.04 -41.42 2 5 1 54 268.381 5 ↓
Hi High (pH 8-9.5) 0.71 3.21 -6.59 1 5 0 53 267.373 5 ↓
Lo Low (pH 4.5-6) 0.71 6.3 -130.17 3 5 2 58 269.389 5 ↓

Parameters Provided:

ring.id = 517061
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 = 517061 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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