UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(8-amino-5-isoquinolyl)-N-methyl-piperidine-4-carboxamide 1-(8-amino-5-isoquinolyl)-N-meth…

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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) 1.42 4.5 -35.92 4 5 1 72 285.371 2 ↓

Analogs

15173366
15173366
12557551
12557551

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Popular Name: 1-(8-nitro-5-isoquinolyl)piperidin-4-amine 1-(8-nitro-5-isoquinolyl)piperid…

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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) 1.28 5.9 -57.63 3 6 1 90 273.316 2 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 5.02 8.29 -11.2 1 8 0 100 372.425 5 ↓

Analogs

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Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)isoquinolin-8-amine 5-(4-ethyl-4-methyl-1-piperidyl)…

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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) 3.44 7.69 -31.28 3 3 1 43 270.4 2 ↓
Hi High (pH 8-9.5) 3.44 7.22 -4.66 2 3 0 42 269.392 2 ↓
Mid Mid (pH 6-8) 3.44 7.9 -88.57 4 3 2 45 271.408 2 ↓

Analogs

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Popular Name: 5-(4,4-diethyl-1-piperidyl)isoquinolin-8-amine 5-(4,4-diethyl-1-piperidyl)isoqu…

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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) 3.77 8.18 -31.58 3 3 1 43 284.427 3 ↓
Hi High (pH 8-9.5) 3.77 7.71 -4.47 2 3 0 42 283.419 3 ↓
Mid Mid (pH 6-8) 3.77 8.38 -89.49 4 3 2 45 285.435 3 ↓

Analogs

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Popular Name: (2S)-2-methoxy-N-[5-(1-piperidyl)-8-isoquinolyl]butanamide (2S)-2-methoxy-N-[5-(1-piperidyl…

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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) 2.99 8.6 -10.44 1 5 0 54 327.428 5 ↓
Lo Low (pH 4.5-6) 2.99 9.23 -43.52 2 5 1 56 328.436 5 ↓
Lo Low (pH 4.5-6) 2.99 9.01 -99.57 3 5 2 57 329.444 5 ↓

Analogs

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Popular Name: (2R)-2-methoxy-N-[5-(1-piperidyl)-8-isoquinolyl]butanamide (2R)-2-methoxy-N-[5-(1-piperidyl…

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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) 2.99 8.6 -10.48 1 5 0 54 327.428 5 ↓
Lo Low (pH 4.5-6) 2.99 9.08 -44.12 2 5 1 56 328.436 5 ↓
Lo Low (pH 4.5-6) 2.99 9.03 -99.88 3 5 2 57 329.444 5 ↓

Analogs

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Popular Name: [1-(8-nitro-5-isoquinolyl)-4-piperidyl]methanol [1-(8-nitro-5-isoquinolyl)-4-pip…

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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) 2.16 5.8 -8.41 1 6 0 82 287.319 3 ↓

Analogs

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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) 3.03 10.2 -10.44 0 7 0 88 329.356 5 ↓

Analogs

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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) 3.03 10 -10.07 0 7 0 88 329.356 5 ↓

Parameters Provided:

ring.id = 64407
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 = 64407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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