UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5871349
5871349
4210785
4210785
4261199
4261199

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Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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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) 5.59 12.58 -22.12 1 6 0 77 408.841 8 ↓

Analogs

2597748
2597748
4282529
4282529

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Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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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) 5.56 13.23 -20.48 1 7 0 86 452.894 10 ↓

Analogs

2597748
2597748
4258542
4258542

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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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) 5.18 12.33 -20.73 1 7 0 86 438.867 9 ↓

Analogs

43190596
43190596
2576217
2576217
4347133
4347133

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Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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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) 5.88 12.97 -20.98 1 6 0 77 443.286 8 ↓

Analogs

4282529
4282529
4302568
4302568

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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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) 5.47 12.69 -23.48 1 7 0 86 473.312 9 ↓

Analogs

4302568
4302568
4347426
4347426

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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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) 5.85 13.6 -23.29 1 7 0 86 487.339 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]-2-ethoxy-phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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Activity (Go SEA)

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) 5.52 13.91 -21.28 1 10 0 132 497.891 11 ↓

Analogs

2584696
2584696
2584723
2584723

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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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) 5.14 13 -21.57 1 10 0 132 483.864 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] [4-[(Z)-[[2-(3-chlorophenoxy)ace…

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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) 5.99 12.94 -19.19 1 7 0 86 517.763 9 ↓

Analogs

2597685
2597685
3117130
3117130
4366716
4366716
30833224
30833224
2505897
2505897

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Popular Name: 2-chlorobenzoic-acid-[4-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazono]methyl]phenyl]-ester 2-chlorobenzoic-acid-[4-[(E)-[[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) 6.04 0.76 -21.84 1 6 0 77 487.737 8 ↓

Analogs

2597685
2597685
43190664
43190664

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chlorobenzoic-acid-[4-[(E)-[[2-(4-methoxyphenoxy)acetyl]hydrazono]methyl]phenyl]-ester 2-chlorobenzoic-acid-[4-[(E)-[[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) 5.28 1.52 -23.45 1 7 0 86 438.867 9 ↓

Parameters Provided:

ring.id = 12016
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 = 12016 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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