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

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Popular Name: amino-(4-fluoro-3-methyl-phenyl)-methyl-BLAHcarbonitrile amino-(4-fluoro-3-methyl-phenyl)…

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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) 3.29 5.73 -5.81 2 4 0 66 322.387 1 ↓
Mid Mid (pH 6-8) 3.29 8.29 -43.18 3 4 1 67 323.395 1 ↓

Analogs

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Popular Name: amino-(4-methoxy-2-methyl-phenyl)-methyl-BLAHcarbonitrile amino-(4-methoxy-2-methyl-phenyl…

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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) 3.19 4.95 -6.77 2 5 0 75 334.423 2 ↓
Mid Mid (pH 6-8) 3.19 7.51 -42.93 3 5 1 76 335.431 2 ↓

Analogs

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Popular Name: amino-(3-chloro-4-fluoro-phenyl)-methyl-BLAHcarbonitrile amino-(3-chloro-4-fluoro-phenyl)…

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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) 3.52 5.61 -6.84 2 4 0 66 342.805 1 ↓
Lo Low (pH 4.5-6) 3.52 8.17 -45.88 3 4 1 67 343.813 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: amino-(4-methoxy-3-methyl-phenyl)-methyl-BLAHcarbonitrile amino-(4-methoxy-3-methyl-phenyl…

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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) 3.19 5.08 -6.98 2 5 0 75 334.423 2 ↓
Mid Mid (pH 6-8) 3.19 7.64 -42.89 3 5 1 76 335.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: amino-[4-methoxy-3-(methoxymethyl)phenyl]-methyl-BLAHcarbonitrile amino-[4-methoxy-3-(methoxymethy…

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) 2.69 4.29 -8.7 2 6 0 84 364.449 4 ↓
Mid Mid (pH 6-8) 2.69 6.85 -44.16 3 6 1 86 365.457 4 ↓

Parameters Provided:

ring.id = 523477
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 = 523477 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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