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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,5-triazine-2,4-diamine 6-[(6-amino-3,4-dihydro-2H-quino…

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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) 0.08 5.67 -8.31 6 7 0 120 271.328 2 ↓
Mid Mid (pH 6-8) 0.08 5.54 -28.47 7 7 1 121 272.336 2 ↓

Analogs

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Popular Name: 6-[[(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[(3S)-3-amino-3,4-dihydro-2H-…

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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) -0.63 5.01 -52.51 7 7 1 122 272.336 2 ↓
Hi High (pH 8-9.5) -0.63 4.7 -7.97 6 7 0 120 271.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[(3R)-3-amino-3,4-dihydro-2H-…

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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) -0.63 4.74 -49.78 7 7 1 122 272.336 2 ↓
Hi High (pH 8-9.5) -0.63 4.42 -7.87 6 7 0 120 271.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[(4R)-4-methyl-3,4-dihydro-2H…

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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) 1.11 8.25 -7.56 4 6 0 94 270.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[(4S)-4-methyl-3,4-dihydro-2H…

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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) 1.11 7.97 -7.74 4 6 0 94 270.34 2 ↓

Parameters Provided:

ring.id = 367534
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 = 367534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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