UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine 1-methyl-N-[3-(4-methylpiperazin…

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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 4.69 -78.84 3 4 2 24 256.438 5 ↓
Hi High (pH 8-9.5) 0.71 2.43 -33.99 2 4 1 23 255.43 5 ↓
Hi High (pH 8-9.5) 0.71 4.8 -74.04 3 4 2 24 256.438 5 ↓

Analogs

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Popular Name: 1-isopropyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine 1-isopropyl-N-[3-(4-methylpipera…

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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) 1.38 4.96 -88.69 3 4 2 28 284.492 6 ↓
Mid Mid (pH 6-8) 1.38 4.83 -108.77 3 4 2 28 284.492 6 ↓
Mid Mid (pH 6-8) 1.38 2.49 -40.87 2 4 1 26 283.484 6 ↓

Analogs

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Popular Name: 1-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine 1-ethyl-N-[3-(4-methylpiperazin-…

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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) 1.09 4.47 -88.96 3 4 2 28 270.465 6 ↓
Mid Mid (pH 6-8) 1.09 4.34 -108.95 3 4 2 28 270.465 6 ↓
Mid Mid (pH 6-8) 1.09 2.01 -41.13 2 4 1 26 269.457 6 ↓

Analogs

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Popular Name: N-[3-(4-methylpiperazin-1-yl)propyl]-1-propyl-piperidin-4-amine N-[3-(4-methylpiperazin-1-yl)pro…

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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) 1.59 6.09 -79.35 3 4 2 24 284.492 7 ↓
Hi High (pH 8-9.5) 1.59 3.84 -33.58 2 4 1 23 283.484 7 ↓
Hi High (pH 8-9.5) 1.59 6.21 -74.06 3 4 2 24 284.492 7 ↓

Analogs

44686871
44686871
44686873
44686873

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

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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) 0.87 4.91 -89.23 3 4 2 28 280.46 6 ↓
Mid Mid (pH 6-8) 0.87 4.8 -109.31 3 4 2 28 280.46 6 ↓
Mid Mid (pH 6-8) 0.87 2.53 -41.97 2 4 1 26 279.452 6 ↓

Analogs

44687006
44687006
44687008
44687008

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Popular Name: 4-[3-(4-methylpiperazin-1-yl)propylamino]piperidine-1-carboxamide 4-[3-(4-methylpiperazin-1-yl)pro…

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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) -0.01 2.39 -98.58 5 6 2 71 285.436 5 ↓
Mid Mid (pH 6-8) -0.01 2.28 -119.09 5 6 2 71 285.436 5 ↓
Mid Mid (pH 6-8) -0.01 0.01 -51.75 4 6 1 69 284.428 5 ↓

Parameters Provided:

ring.id = 25362
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 = 25362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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