UCSF
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Analogs

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Popular Name: N-[(4-chlorophenyl)methyleneamino]-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-ami N-[(4-chlorophenyl)methyleneamin…

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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) 5.11 -0.28 -10.02 1 4 0 50 364.861 4 ↓

Analogs

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Popular Name: 2-methoxy-6-[(9-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)aminoiminomethyl]phe 2-methoxy-6-[(9-phenyl-7-thia-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) 3.98 9.2 -13.87 2 6 0 80 376.441 5 ↓
Hi High (pH 8-9.5) 3.98 10.11 -57.88 1 6 -1 82 375.433 5 ↓
Hi High (pH 8-9.5) 3.98 11.36 -43.85 1 6 -1 86 375.433 5 ↓

Analogs

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Popular Name: 2-[2-[(E)-[[5-(4-methoxyphenyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]phenoxy]acetic 2-[2-[(E)-[[5-(4-methoxyphenyl)t…

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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) 3.75 11.32 -62.44 1 8 -1 109 433.469 8 ↓

Analogs

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Popular Name: 2-[(E)-[[5-(4-methoxyphenyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]benzoic 2-[(E)-[[5-(4-methoxyphenyl)thie…

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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) 4.02 10.47 -55.91 1 7 -1 100 403.443 6 ↓

Analogs

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Popular Name: 2-[2-[(E)-[[5-(p-tolyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]phenoxy]acetic 2-[2-[(E)-[[5-(p-tolyl)thieno[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) 4.14 12.7 -62.48 1 7 -1 100 417.47 7 ↓

Analogs

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Popular Name: 2-[(E)-[[5-(p-tolyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]benzoic 2-[(E)-[[5-(p-tolyl)thieno[3,2-e…

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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) 4.41 11.85 -51.71 1 6 -1 90 387.444 5 ↓

Analogs

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Popular Name: 2-[2-[(E)-[[5-(4-chlorophenyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]phenoxy]acetic 2-[2-[(E)-[[5-(4-chlorophenyl)th…

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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) 4.37 12.55 -60.26 1 7 -1 100 437.888 7 ↓

Analogs

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Popular Name: 2-[(E)-[[5-(4-chlorophenyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]benzoic 2-[(E)-[[5-(4-chlorophenyl)thien…

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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) 4.64 11.69 -52.39 1 6 -1 90 407.862 5 ↓

Analogs

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Popular Name: 2-[2-[(E)-[[5-(4-fluorophenyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]phenoxy]acetic 2-[2-[(E)-[[5-(4-fluorophenyl)th…

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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) 3.86 12.09 -60.56 1 7 -1 100 421.433 7 ↓

Analogs

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Popular Name: 2-[(E)-[[5-(4-fluorophenyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]benzoic 2-[(E)-[[5-(4-fluorophenyl)thien…

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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) 4.12 11.24 -54.67 1 6 -1 90 391.407 5 ↓

Analogs

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Popular Name: 4-[(E)-[[5-(4-fluorophenyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]benzoic 4-[(E)-[[5-(4-fluorophenyl)thien…

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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) 4.51 11.43 -56.43 1 6 -1 90 391.407 5 ↓

Analogs

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Popular Name: 2-[4-[(E)-[[5-(4-fluorophenyl)thieno[3,2-e]pyrimidin-4-yl]hydrazono]methyl]phenoxy]acetic 2-[4-[(E)-[[5-(4-fluorophenyl)th…

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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 11.75 -53.67 1 7 -1 100 421.433 7 ↓

Parameters Provided:

ring.id = 1644
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 = 1644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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