UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(dimethylsulfamoylamino)methyl]-2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-6-methyl-3,4-dihydro-1H-2, 5-[(dimethylsulfamoylamino)methy…

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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) 1.59 -4.75 -17.14 1 7 0 83 432.521 6 ↓
Lo Low (pH 4.5-6) 1.59 -4.68 -50.41 2 7 1 84 433.529 6 ↓

Analogs

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Popular Name: N-[[7-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]prop N-[[7-[(E)-3-(3-chlorophenyl)pro…

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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) 2.98 -5.17 -18.3 1 6 0 79 447.988 7 ↓
Lo Low (pH 4.5-6) 2.98 -5.1 -51.19 2 6 1 81 448.996 7 ↓

Analogs

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Popular Name: 5-[(dimethylsulfamoylamino)methyl]-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-6-methyl-3,4-dihydro-1H-2, 5-[(dimethylsulfamoylamino)methy…

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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) 1.39 -4.78 -20.23 1 7 0 83 432.521 6 ↓
Lo Low (pH 4.5-6) 1.39 -4.71 -57.13 2 7 1 84 433.529 6 ↓

Analogs

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Popular Name: 2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-5-[(dimethylsulfamoylamino)methyl]-6-methyl-3,4-dihydro-1H-2, 2-[(E)-3-(2-chlorophenyl)prop-2-…

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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) 1.90 -5.63 -19.22 1 7 0 83 448.976 6 ↓

Analogs

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Popular Name: N-[[7-[(E)-3-(2,3-difluorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl] N-[[7-[(E)-3-(2,3-difluorophenyl…

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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) 1.97 -0.36 -22.65 1 5 0 62 431.508 6 ↓

Parameters Provided:

ring.id = 62292
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 = 62292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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