UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[4-[3-(cyclopropylmethoxy)propylamino]-1-piperidyl]ethanone 1-[4-[3-(cyclopropylmethoxy)prop…

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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 5.86 -50.44 2 4 1 46 255.382 7 ↓

Analogs

37848819
37848819
37848820
37848820
37848826
37848826
37848827
37848827

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Popular Name: ethyl 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) 2.09 6.63 -49.4 2 5 1 55 285.408 9 ↓

Analogs

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Popular Name: 2-[4-[3-(cyclopropylmethoxy)propylamino]-1-piperidyl]-N,N-dimethyl-acetamide 2-[4-[3-(cyclopropylmethoxy)prop…

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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) 0.55 4.95 -44.41 2 5 1 49 298.451 9 ↓
Mid Mid (pH 6-8) 0.55 6 -39.84 2 5 1 46 298.451 9 ↓

Analogs

45657734
45657734
45657736
45657736

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Popular Name: N-[3-(cyclopropylmethoxy)propyl]-1-prop-2-ynyl-piperidin-4-amine N-[3-(cyclopropylmethoxy)propyl]…

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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) 1.80 5.79 -41.16 2 3 1 29 251.394 8 ↓

Analogs

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Popular Name: N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[3-(cyclopropylmethoxy)propyl]…

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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) 3.32 7.26 -39.37 2 3 1 29 281.464 9 ↓
Lo Low (pH 4.5-6) 3.32 9.5 -105.28 3 3 2 30 282.472 9 ↓

Analogs

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Popular Name: 4-[3-(cyclopropylmethoxy)propylamino]piperidine-1-carboxamide 4-[3-(cyclopropylmethoxy)propyla…

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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) 0.92 3.27 -50.81 4 5 1 72 256.37 7 ↓

Analogs

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Popular Name: N-[3-(cyclopropylmethoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[3-(cyclopropylmethoxy)propyl]…

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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) 2.57 5.82 -42.61 2 3 1 29 295.369 9 ↓

Parameters Provided:

ring.id = 15021
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 = 15021 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=15021&filter.purchasability=annotated

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