UCSF
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Analogs

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Popular Name: pentanoic acid, 5-[[4-[[(4-methoxyphenyl)amino]sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[[(4-metho…

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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) 4.86 10.41 -25.05 2 8 0 111 510.612 14 ↓

Analogs

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Popular Name: pentanoic acid, 5-[[4-[(ethylphenylamino)sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[(ethylphe…

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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) 5.43 13.66 -23.47 1 7 0 93 508.64 14 ↓

Analogs

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Popular Name: pentanoic acid, 5-[[4-[[(3,4-dimethylphenyl)amino]sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[[(3,4-dim…

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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) 5.63 12.33 -23.99 2 7 0 102 508.64 13 ↓

Analogs

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Popular Name: pentanoic acid, 5-oxo-5-[[4-[(phenylamino)sulfonyl]phenyl]amino]-, 3-phenylpropyl ester pentanoic acid, 5-oxo-5-[[4-[(ph…

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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) 4.80 11.14 -27.24 2 7 0 102 480.586 13 ↓
Hi High (pH 8-9.5) 4.80 11.22 -61.6 1 7 -1 104 479.578 13 ↓

Analogs

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Popular Name: pentanoic acid, 5-[[4-[[(2,4-dimethylphenyl)amino]sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[[(2,4-dim…

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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) 5.63 12.63 -23.38 2 7 0 102 508.64 13 ↓

Analogs

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Popular Name: pentanoic acid, 5-[[4-[[(3,5-dimethylphenyl)amino]sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[[(3,5-dim…

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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) 5.63 12.45 -23.85 2 7 0 102 508.64 13 ↓

Analogs

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Popular Name: pentanoic acid, 5-[[4-[[(4-ethoxyphenyl)amino]sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[[(4-ethox…

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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) 5.24 11.34 -24.93 2 8 0 111 524.639 15 ↓

Analogs

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Popular Name: pentanoic acid, 5-[[4-[(methylphenylamino)sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[(methylph…

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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) 5.05 12.8 -23.58 1 7 0 93 494.613 13 ↓

Analogs

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Popular Name: pentanoic acid, 5-[[4-[[(2,6-dimethylphenyl)amino]sulfonyl]phenyl]amino]-5-oxo-, 3-phenylpropyl ester pentanoic acid, 5-[[4-[[(2,6-dim…

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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) 5.61 12.77 -23.38 2 7 0 102 508.64 13 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 232076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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