UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide N-(6,7-dihydro-[1,4]dioxino[2,3-…

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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) 3.77 7.36 -13.11 1 5 0 60 380.347 3 ↓
Hi High (pH 8-9.5) 3.83 6.46 -39.72 0 5 -1 67 379.339 3 ↓

Analogs

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Popular Name: 4-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-(2-dimethylaminoeth 4-(diethylsulfamoyl)-N-(6,7-dihy…

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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) 3.21 9.46 -54.85 1 9 1 93 519.669 9 ↓
Hi High (pH 8-9.5) 3.21 7 -14.43 0 9 0 92 518.661 9 ↓

Analogs

10065992
10065992
10066913
10066913

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Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,4,5-triethoxy-b N-(6,7-dihydro-[1,4]dioxino[2,3-…

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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) 3.90 11.94 -47.04 1 9 1 84 516.64 11 ↓
Hi High (pH 8-9.5) 3.90 9.53 -11.6 0 9 0 83 515.632 11 ↓

Analogs

9604064
9604064

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Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-(dimethylsulfamo N-(2-diethylaminoethyl)-N-(6,7-d…

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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) 3.21 9.02 -52.18 1 9 1 93 519.669 9 ↓
Hi High (pH 8-9.5) 3.21 6.65 -14.2 0 9 0 92 518.661 9 ↓

Analogs

10066014
10066014
10066013
10066013

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Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-pentoxy-benzamid N-(2-diethylaminoethyl)-N-(6,7-d…

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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) 5.87 13.25 -48.77 1 7 1 65 498.669 12 ↓
Hi High (pH 8-9.5) 5.87 11.57 -10.11 0 7 0 64 497.661 12 ↓

Analogs

10066016
10066016
10066915
10066915

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Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-pentoxy-benzamid N-(2-diethylaminoethyl)-N-(6,7-d…

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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) 5.90 13.56 -49.16 1 7 1 65 498.669 12 ↓
Hi High (pH 8-9.5) 5.90 11.08 -10.51 0 7 0 64 497.661 12 ↓

Analogs

10066028
10066028

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Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,6-difluoro-benza N-(2-diethylaminoethyl)-N-(6,7-d…

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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) 4.13 11.43 -44.31 1 6 1 56 448.515 7 ↓
Hi High (pH 8-9.5) 4.13 9.28 -15.15 0 6 0 55 447.507 7 ↓

Analogs

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Popular Name: 4-cyano-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzami 4-cyano-N-(6,7-dihydro-[1,4]diox…

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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) 3.17 10.91 -55.86 1 7 1 80 423.518 6 ↓

Analogs

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Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,6-difluoro-b N-(6,7-dihydro-[1,4]dioxino[2,3-…

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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) 3.65 10.84 -49.07 1 6 1 56 434.488 6 ↓

Analogs

10068208
10068208
10068253
10068253

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Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4,5-triethox N-(6,7-dihydro-[1,4]dioxino[2,3-…

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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) 4.17 12.7 -46.9 1 9 1 84 530.667 12 ↓

Parameters Provided:

ring.id = 83643
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 = 83643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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