UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]phthalazin-1-amine N-[(1S)-1-cyclopentylethyl]phtha…

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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) 3.42 8.37 -24.72 2 3 1 39 242.346 3 ↓
Mid Mid (pH 6-8) 3.42 8.27 -9.19 1 3 0 38 241.338 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]phthalazin-1-amine N-[(1R)-1-cyclopentylethyl]phtha…

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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) 3.42 8.19 -24.85 2 3 1 39 242.346 3 ↓
Mid Mid (pH 6-8) 3.42 8.11 -9.25 1 3 0 38 241.338 3 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-4-methyl-phthalazin-1-amine N-[(1S)-1-cyclopentylethyl]-4-me…

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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) 4.05 8.86 -23.83 2 3 1 39 256.373 3 ↓
Mid Mid (pH 6-8) 4.05 8.76 -10.05 1 3 0 38 255.365 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-4-methyl-phthalazin-1-amine N-[(1R)-1-cyclopentylethyl]-4-me…

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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) 4.05 8.68 -23.99 2 3 1 39 256.373 3 ↓
Mid Mid (pH 6-8) 4.05 8.59 -10.1 1 3 0 38 255.365 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-cyclopentylethyl]phthalazin-1-amine 4-chloro-N-[(1S)-1-cyclopentylet…

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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) 4.63 8.61 -9.32 1 3 0 38 275.783 3 ↓
Mid Mid (pH 6-8) 4.63 8.71 -25.43 2 3 1 39 276.791 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-cyclopentylethyl]phthalazin-1-amine 4-chloro-N-[(1R)-1-cyclopentylet…

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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) 4.63 8.45 -9.38 1 3 0 38 275.783 3 ↓
Mid Mid (pH 6-8) 4.63 8.53 -25.6 2 3 1 39 276.791 3 ↓

Parameters Provided:

ring.id = 533952
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 = 533952 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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