UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazole-3-thiol 4-[(2-methylthiazol-4-yl)methyl]…

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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) 0.65 5.94 -53.02 0 4 -1 44 211.295 2 ↓
Mid Mid (pH 6-8) -0.07 5.82 -19.76 1 4 0 47 212.303 2 ↓

Analogs

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Popular Name: 4-[(2-methylthiazol-4-yl)methyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(2-methylthiazol-4-yl)methyl]…

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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) 1.82 7.18 -46.53 0 4 -1 44 253.376 4 ↓
Lo Low (pH 4.5-6) 1.09 7.22 -9 1 4 0 47 254.384 4 ↓

Analogs

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Popular Name: 2-[[4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(2-methylthiazol-4-yl)met…

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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) 0.10 7.24 -55.08 0 6 -1 84 269.331 5 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(2-methylthiazol…

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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) 0.19 7.11 -48.64 0 6 -1 84 283.358 5 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(2-methylthiazol-…

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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) 0.76 7.71 -48.47 0 6 -1 84 297.385 6 ↓

Analogs

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Popular Name: 2-[[4-[(2-methylthiazol-4-yl)methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(2-methylthiazol-4-yl)met…

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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) 1.26 8.49 -48.19 0 6 -1 84 311.412 7 ↓

Analogs

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Popular Name: 2-[[5-isopropyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-isopropyl-4-[(2-methylthia…

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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) 1.25 8.08 -55.83 0 6 -1 84 311.412 6 ↓

Parameters Provided:

ring.id = 580839
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 = 580839 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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