UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(2-methoxyphenyl)-N-[(2R)-4-oxaspiro[4.4]nonan-2-yl]pyridazin-3-amine 6-(2-methoxyphenyl)-N-[(2R)-4-ox…

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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) 3.86 7.65 -33.28 2 5 1 58 326.42 4 ↓
Mid Mid (pH 6-8) 3.86 7.55 -28.6 2 5 1 58 326.42 4 ↓
Mid Mid (pH 6-8) 3.86 7.49 -12.9 1 5 0 56 325.412 4 ↓

Analogs

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Popular Name: 6-(2-methoxyphenyl)-N-[(2S)-4-oxaspiro[4.4]nonan-2-yl]pyridazin-3-amine 6-(2-methoxyphenyl)-N-[(2S)-4-ox…

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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) 3.86 7.68 -33.31 2 5 1 58 326.42 4 ↓
Mid Mid (pH 6-8) 3.86 7.58 -28.5 2 5 1 58 326.42 4 ↓
Mid Mid (pH 6-8) 3.86 7.52 -12.25 1 5 0 56 325.412 4 ↓

Analogs

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Popular Name: 6-[(2R)-4-oxaspiro[4.4]nonan-2-yl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2R)-4-oxaspiro[4.4]nonan-2-y…

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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) 1.04 5.43 -18.25 1 6 0 88 311.341 1 ↓
Mid Mid (pH 6-8) 1.94 3.46 -44 0 6 -1 91 310.333 1 ↓

Analogs

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Popular Name: 6-[(2S)-4-oxaspiro[4.4]nonan-2-yl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(2S)-4-oxaspiro[4.4]nonan-2-y…

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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) 1.04 5.41 -19.85 1 6 0 88 311.341 1 ↓
Mid Mid (pH 6-8) 1.94 3.44 -44.57 0 6 -1 91 310.333 1 ↓

Analogs

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Popular Name: N2,N2-dimethyl-N4-[(2R)-4-oxaspiro[4.4]nonan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dia N2,N2-dimethyl-N4-[(2R)-4-oxaspi…

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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) 2.51 8.01 -47.09 3 6 1 67 318.445 3 ↓

Analogs

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Popular Name: N2,N2-dimethyl-N4-[(2S)-4-oxaspiro[4.4]nonan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dia N2,N2-dimethyl-N4-[(2S)-4-oxaspi…

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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) 2.51 8.02 -47.87 3 6 1 67 318.445 3 ↓

Parameters Provided:

ring.id = 37348
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 = 37348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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