UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S)-6-amino-3-(4-methoxyphenyl)-4-[5-(2-methyl-3-nitro-phenyl)-2-furyl]-1,4-dihydropyrano[5,6-d]pyr (4S)-6-amino-3-(4-methoxyphenyl)…

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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) 4.44 7.61 -16.88 3 10 0 156 469.457 5 ↓
Lo Low (pH 4.5-6) 4.44 7.94 -60.18 4 10 1 158 470.465 5 ↓

Analogs

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Popular Name: (4R)-6-amino-3-(4-methoxyphenyl)-4-[5-(2-methyl-3-nitro-phenyl)-2-furyl]-1,4-dihydropyrano[5,6-d]pyr (4R)-6-amino-3-(4-methoxyphenyl)…

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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) 4.44 7.65 -16.52 3 10 0 156 469.457 5 ↓
Lo Low (pH 4.5-6) 4.44 7.97 -60.45 4 10 1 158 470.465 5 ↓

Analogs

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Popular Name: (4S)-6-amino-4-[5-(5-chloro-2-nitro-phenyl)-2-furyl]-3-(p-tolyl)-1,4-dihydropyrano[5,6-d]pyrazole-5- (4S)-6-amino-4-[5-(5-chloro-2-ni…

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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) 5.09 9.47 -16.44 3 9 0 147 473.876 4 ↓
Lo Low (pH 4.5-6) 5.09 9.8 -52.81 4 9 1 148 474.884 4 ↓

Analogs

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Popular Name: (4R)-6-amino-4-[5-(5-chloro-2-nitro-phenyl)-2-furyl]-3-(p-tolyl)-1,4-dihydropyrano[5,6-d]pyrazole-5- (4R)-6-amino-4-[5-(5-chloro-2-ni…

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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) 5.09 9.5 -16.59 3 9 0 147 473.876 4 ↓
Lo Low (pH 4.5-6) 5.09 9.83 -57.77 4 9 1 148 474.884 4 ↓

Analogs

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Popular Name: (4S)-6-amino-3-(4-chlorophenyl)-4-[5-(2-methyl-3-nitro-phenyl)-2-furyl]-1,4-dihydropyrano[5,6-d]pyra (4S)-6-amino-3-(4-chlorophenyl)-…

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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) 5.06 8.82 -15.64 3 9 0 147 473.876 4 ↓
Lo Low (pH 4.5-6) 5.06 9.15 -59.54 4 9 1 148 474.884 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-amino-3-(4-chlorophenyl)-4-[5-(2-methyl-3-nitro-phenyl)-2-furyl]-1,4-dihydropyrano[5,6-d]pyra (4R)-6-amino-3-(4-chlorophenyl)-…

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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) 5.06 8.86 -15.33 3 9 0 147 473.876 4 ↓
Lo Low (pH 4.5-6) 5.06 9.17 -60.64 4 9 1 148 474.884 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-amino-3-(4-chlorophenyl)-4-[5-(2-methyl-4-nitro-phenyl)-2-furyl]-1,4-dihydropyrano[5,6-d]pyra (4S)-6-amino-3-(4-chlorophenyl)-…

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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) 5.09 8.93 -14.08 3 9 0 147 473.876 4 ↓
Lo Low (pH 4.5-6) 5.09 9.25 -63.16 4 9 1 148 474.884 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-amino-3-(4-chlorophenyl)-4-[5-(2-methyl-4-nitro-phenyl)-2-furyl]-1,4-dihydropyrano[5,6-d]pyra (4R)-6-amino-3-(4-chlorophenyl)-…

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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) 5.09 8.96 -13.85 3 9 0 147 473.876 4 ↓
Lo Low (pH 4.5-6) 5.09 9.28 -61.14 4 9 1 148 474.884 4 ↓

Parameters Provided:

ring.id = 110892
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 = 110892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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