UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-4-hydroxy-N-isopentyl-2-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-b]pyridine-3-carboxamide (3S)-4-hydroxy-N-isopentyl-2-oxo…

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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) 3.33 6.36 -56.12 2 5 -1 85 333.433 4 ↓

Analogs

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Popular Name: (3S,7R)-4-hydroxy-7-methyl-2-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-5,6,7,8-tetrahydro-3H-benzoth (3S,7R)-4-hydroxy-7-methyl-2-oxo…

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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) 2.53 5.07 -58.92 2 6 -1 94 361.443 3 ↓

Analogs

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Popular Name: (3S,7S)-4-hydroxy-7-methyl-2-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-5,6,7,8-tetrahydro-3H-benzoth (3S,7S)-4-hydroxy-7-methyl-2-oxo…

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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) 2.53 5.07 -58.94 2 6 -1 94 361.443 3 ↓

Analogs

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Popular Name: 7-hydroxy-N-[(5-methyl-2-furyl)methyl]-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide 7-hydroxy-N-[(5-methyl-2-furyl)m…

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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) 0.93 3.52 -55.56 2 6 -1 98 303.319 3 ↓

Analogs

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Popular Name: (3S,4S)-4-hydroxy-N-[(E)-1-[(3R)-4-hydroxy-2-oxo-3H-quinolin-3-yl]ethylideneamino]-1-methyl-2-oxo-3, (3S,4S)-4-hydroxy-N-[(E)-1-[(3R)…

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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) 0.72 1.56 -43.81 4 9 1 133 421.433 3 ↓
Hi High (pH 8-9.5) 0.90 0.29 -62.57 3 9 0 140 420.425 3 ↓
Mid Mid (pH 6-8) 0.90 0.62 -49.93 3 9 0 140 420.425 3 ↓

Analogs

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Popular Name: (3R)-6-bromo-3-[(5S)-5-(4-methoxyphenyl)-4,5-dihydroisoxazol-3-yl]-4-phenyl-3H-quinolin-2-one (3R)-6-bromo-3-[(5S)-5-(4-methox…

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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) 5.59 11.19 -33.77 1 5 1 62 476.35 4 ↓

Analogs

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Popular Name: (3R)-3-[(3R)-2-acetyl-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-3H-quinolin-2-on (3R)-3-[(3R)-2-acetyl-3-(2-fluor…

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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) 4.93 12.55 -38.47 1 5 1 64 460.916 3 ↓

Analogs

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Popular Name: (3R)-3-[(3S)-2-acetyl-5-(p-tolyl)-3,4-dihydropyrazol-3-yl]-7-ethoxy-3H-quinolin-2-one (3R)-3-[(3S)-2-acetyl-5-(p-tolyl…

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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) 3.35 9.68 -42.85 1 6 1 73 390.463 4 ↓

Analogs

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Popular Name: (3R)-6-bromo-3-(6-methyl-4-phenyl-2-quinolyl)-4-phenyl-3H-quinolin-2-one (3R)-6-bromo-3-(6-methyl-4-pheny…

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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) 8.06 15.6 -29.19 1 3 1 44 518.434 3 ↓

Parameters Provided:

ring.id = 101065
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 = 101065 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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