UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(5S)-2-(3,5-dimethylanilino)-4-oxo-thiazol-5-yl]acetic 2-[(5S)-2-(3,5-dimethylanilino)-…

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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) 1.74 6.3 -99.2 0 5 -2 84 276.317 4 ↓
Mid Mid (pH 6-8) 1.74 6.82 -47 1 5 -1 82 277.325 4 ↓

Analogs

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Popular Name: 2-[(5R)-2-(3,5-dimethylanilino)-4-oxo-thiazol-5-yl]acetic 2-[(5R)-2-(3,5-dimethylanilino)-…

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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) 1.74 6.3 -99.05 0 5 -2 84 276.317 4 ↓
Mid Mid (pH 6-8) 1.74 6.81 -46.84 1 5 -1 82 277.325 4 ↓

Analogs

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Popular Name: 2-(4-Methoxy-phenylamino)-thiazol-4-one 2-(4-Methoxy-phenylamino)-thiazo…

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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) 1.47 3.56 -14.3 1 4 0 51 222.269 3 ↓
Hi High (pH 8-9.5) 1.47 3.13 -35.08 0 4 -1 53 221.261 3 ↓
Lo Low (pH 4.5-6) 1.47 4.14 -33.93 2 4 1 52 223.277 3 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)amino]-1,3-thiazol-4(5H)-one 2-[(4-fluorophenyl)amino]-1,3-th…

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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) 1.58 4.36 -11.93 1 3 0 41 210.233 2 ↓
Hi High (pH 8-9.5) 1.58 3.87 -31.61 0 3 -1 44 209.225 2 ↓
Lo Low (pH 4.5-6) 1.58 4.37 -34.36 2 3 1 43 211.241 2 ↓

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)imino]-1,3-thiazolidin-4-one 2-[(3,4-dimethylphenyl)imino]-1,…

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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) 2.24 5.35 -12.11 1 3 0 41 220.297 2 ↓
Mid Mid (pH 6-8) 2.24 5.35 -30.78 2 3 1 43 221.305 2 ↓

Parameters Provided:

ring.id = 62303
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 = 62303 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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