UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4975307
4975307

Draw Identity 99% 90% 80% 70%

Popular Name: 4-phenyl-N-[[4-(p-tolylmethoxy)phenyl]methyleneamino]thiazol-2-amine 4-phenyl-N-[[4-(p-tolylmethoxy)p…

Find On: PubMed — Wikipedia — Google

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) 6.06 13.76 -11.18 1 4 0 47 399.519 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-chlorophenyl)-N-[[4-(p-tolylmethoxy)phenyl]methyleneamino]thiazol-2-amine 4-(4-chlorophenyl)-N-[[4-(p-toly…

Find On: PubMed — Wikipedia — Google

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) 6.74 -0.14 -9.82 1 4 0 47 433.964 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]-4-phenyl-thiazol-2-amine N-[[4-[(2-chlorophenyl)methoxy]p…

Find On: PubMed — Wikipedia — Google

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) 6.24 13.67 -10.15 1 4 0 47 419.937 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-chlorophenyl)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]thiazol-2-amine 4-(4-chlorophenyl)-N-[[4-[(2-chl…

Find On: PubMed — Wikipedia — Google

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) 6.92 14.19 -9.4 1 4 0 47 454.382 7 ↓

Analogs

31854548
31854548
33377770
33377770

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dichlorophenyl)-N-[[4-(p-tolylmethoxy)phenyl]methyleneamino]thiazol-2-amine 4-(2,4-dichlorophenyl)-N-[[4-(p-…

Find On: PubMed — Wikipedia — Google

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) 7.34 15.21 -10.84 1 4 0 47 468.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-bromophenyl)-N-[[4-(p-tolylmethoxy)phenyl]methyleneamino]thiazol-2-amine 4-(4-bromophenyl)-N-[[4-(p-tolyl…

Find On: PubMed — Wikipedia — Google

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) 6.87 14.39 -10.25 1 4 0 47 478.415 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]-4-(2,4-dichlorophenyl)thiazol-2-amine N-[[4-[(2-chlorophenyl)methoxy]p…

Find On: PubMed — Wikipedia — Google

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) 7.52 15.11 -9.85 1 4 0 47 488.827 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyleneamino]-4-phenyl-thiazol-2-amine N-[[4-[(2,6-dichlorophenyl)metho…

Find On: PubMed — Wikipedia — Google

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) 6.87 -0.62 -11.23 1 4 0 47 454.382 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyleneamino]-4-phenyl-thiazol-2-amine N-[[3-ethoxy-4-[(2-fluorophenyl)…

Find On: PubMed — Wikipedia — Google

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) 5.69 14.04 -12 1 5 0 56 447.535 9 ↓

Analogs

9805458
9805458

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-4-phenyl-thiazol-2-amine N-[[4-[(4-fluorophenyl)methoxy]-…

Find On: PubMed — Wikipedia — Google

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) 5.36 13.06 -12.87 1 5 0 56 433.508 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyleneamino]-4-phenyl-thiazol-2-amine N-[[4-[(2-fluorophenyl)methoxy]p…

Find On: PubMed — Wikipedia — Google

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) 5.72 13.25 -10.55 1 4 0 47 403.482 7 ↓

Analogs

16692800
16692800
59919009
59919009

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]-4-phenyl-thiazol-2-amine N-[[4-[(3,4-dichlorophenyl)metho…

Find On: PubMed — Wikipedia — Google

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) 6.86 14.88 -12.77 1 5 0 56 498.435 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(4-bromophenyl)methoxy]phenyl]methyleneamino]-4-(4-chlorophenyl)thiazol-2-amine N-[[4-[(4-bromophenyl)methoxy]ph…

Find On: PubMed — Wikipedia — Google

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) 7.10 14.23 -9.75 1 4 0 47 498.833 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-benzyloxyphenyl)ethylideneamino]-4-(4-bromophenyl)thiazol-2-amine N-[1-(4-benzyloxyphenyl)ethylide…

Find On: PubMed — Wikipedia — Google

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) 6.86 14.25 -10.32 1 4 0 47 478.415 7 ↓

Analogs

59919039
59919039

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-bromophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyleneamino]thiazol-2-amine 4-(4-bromophenyl)-N-[[4-[(4-fluo…

Find On: PubMed — Wikipedia — Google

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) 6.58 13.78 -10.27 1 4 0 47 482.378 7 ↓

Analogs

9425505
9425505

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyleneamino]-5-methyl-4-phenyl-thiazol-2-amine N-[[3-ethoxy-4-[(4-fluorophenyl)…

Find On: PubMed — Wikipedia — Google

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) 5.96 14.56 -13.1 1 5 0 56 461.562 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyleneamino]-5-methyl-4-phenyl-thiazol-2-amine N-[[4-[(2,6-dichlorophenyl)metho…

Find On: PubMed — Wikipedia — Google

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) 7.09 14.52 -11.71 1 4 0 47 468.409 7 ↓

Analogs

9667253
9667253

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-benzyloxyphenyl)ethylideneamino]-4-(p-tolyl)thiazol-2-amine N-[1-(4-benzyloxyphenyl)ethylide…

Find On: PubMed — Wikipedia — Google

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) 6.50 14.3 -11.25 1 4 0 47 413.546 7 ↓

Parameters Provided:

ring.id = 66511
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 = 66511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=66511&filter.purchasability=annotated

Embed Link to Results