UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]phthalazin-1-one 2-[(2R)-2-cyclopropyl-2-(methyla…

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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) 1.89 6.1 -39.11 2 4 1 52 244.318 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]phthalazin-1-one 2-[(2S)-2-cyclopropyl-2-(methyla…

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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) 1.89 6.36 -36.71 2 4 1 52 244.318 4 ↓

Analogs

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Popular Name: 2-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]phthalazin-1-one 2-[(2R)-2-cyclopropyl-2-(ethylam…

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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) 2.27 7.06 -29.18 2 4 1 52 258.345 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]phthalazin-1-one 2-[(2S)-2-cyclopropyl-2-(ethylam…

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Activity (Go SEA)

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) 2.27 7.33 -35.81 2 4 1 52 258.345 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-amino-2-cyclopropyl-ethyl]phthalazin-1-one 2-[(2R)-2-amino-2-cyclopropyl-et…

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Activity (Go SEA)

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) 0.98 4.86 -33.25 3 4 1 63 230.291 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-amino-2-cyclopropyl-ethyl]phthalazin-1-one 2-[(2S)-2-amino-2-cyclopropyl-et…

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Activity (Go SEA)

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) 0.98 5.02 -40.92 3 4 1 63 230.291 3 ↓

Analogs

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Popular Name: 2-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]phthalazin-1-one 2-[(2R)-2-cyclopropyl-2-(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) 2.77 7.81 -29.38 2 4 1 52 272.372 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]phthalazin-1-one 2-[(2S)-2-cyclopropyl-2-(propyla…

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Activity (Go SEA)

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) 2.77 8.08 -36.3 2 4 1 52 272.372 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]phthalazin-1-one 2-[(2R)-2-cyclopropyl-2-hydroxy-…

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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) 1.47 4.46 -11.46 1 4 0 55 230.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]phthalazin-1-one 2-[(2S)-2-cyclopropyl-2-hydroxy-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.47 3.73 -12.99 1 4 0 55 230.267 3 ↓

Parameters Provided:

ring.id = 269851
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 = 269851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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