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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]phthalazin-1-amine N-[(1S)-2-imidazol-1-yl-1-methyl…

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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) 1.31 8.82 -84.47 3 5 2 58 255.325 4 ↓
Mid Mid (pH 6-8) 1.31 8.73 -40.99 2 5 1 57 254.317 4 ↓
Mid Mid (pH 6-8) 1.31 8.31 -34.03 2 5 1 57 254.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]phthalazin-1-amine N-[(1R)-2-imidazol-1-yl-1-methyl…

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) 1.31 8.76 -86.39 3 5 2 58 255.325 4 ↓
Mid Mid (pH 6-8) 1.31 8.66 -43 2 5 1 57 254.317 4 ↓
Mid Mid (pH 6-8) 1.31 8.24 -33.45 2 5 1 57 254.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4-methyl-phthalazin-1-amine N-[(1S)-2-imidazol-1-yl-1-methyl…

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) 1.95 9.31 -83.82 3 5 2 58 269.352 4 ↓
Hi High (pH 8-9.5) 1.95 8.7 -17.33 1 5 0 56 267.336 4 ↓
Mid Mid (pH 6-8) 1.95 8.8 -33.33 2 5 1 57 268.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4-methyl-phthalazin-1-amine N-[(1R)-2-imidazol-1-yl-1-methyl…

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) 1.95 9.24 -85.91 3 5 2 58 269.352 4 ↓
Hi High (pH 8-9.5) 1.95 8.63 -16.78 1 5 0 56 267.336 4 ↓
Mid Mid (pH 6-8) 1.95 8.73 -32.69 2 5 1 57 268.344 4 ↓

Parameters Provided:

ring.id = 544660
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 = 544660 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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