UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(ethyl-propyl-amino)-3-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-9-met 2-(ethyl-propyl-amino)-3-[(Z)-[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) 2.80 11.08 -16.3 0 7 0 69 446.598 8 ↓

Analogs

8915499
8915499

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Popular Name: 2-(ethyl-propyl-amino)-3-[(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-9-me 2-(ethyl-propyl-amino)-3-[(Z)-[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) 3.07 11.72 -15.19 0 7 0 69 460.625 9 ↓

Analogs

6594546
6594546

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Popular Name: 3-[(Z)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-(2-hydroxyethylamino)-9-methyl-pyrido 3-[(Z)-(3-allyl-4-oxo-2-thioxo-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) 1.33 7.22 -15.74 2 7 0 89 402.501 6 ↓

Analogs

2988008
2988008
6594541
6594541

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Popular Name: 2-(2-hydroxyethylamino)-9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrido 2-(2-hydroxyethylamino)-9-methyl…

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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) 0.68 5.77 -15.8 2 7 0 89 376.463 4 ↓

Analogs

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Popular Name: 3-[(5Z)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-th 3-[(5Z)-5-[[2-(2-hydroxyethylami…

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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) 0.20 6.42 -61.53 2 9 -1 129 433.491 7 ↓

Analogs

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Popular Name: 3-[(5Z)-5-[[2-(allylamino)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-thia 3-[(5Z)-5-[[2-(allylamino)-9-met…

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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) 1.48 10.3 -60.43 1 8 -1 109 429.503 7 ↓

Analogs

6594561
6594561
9019538
9019538

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Popular Name: 2-(2-methoxyethylamino)-3-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]pyrid 2-(2-methoxyethylamino)-3-[(Z)-[…

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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) 0.89 7.96 -17.46 1 8 0 87 420.516 8 ↓

Analogs

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Popular Name: 3-[(Z)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-(2-methoxyethylamino)pyrido[2,1-b]pyr 3-[(Z)-(3-allyl-4-oxo-2-thioxo-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) 1.55 8.83 -15.55 1 7 0 78 402.501 7 ↓

Analogs

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Popular Name: 2-(3-methoxypropylamino)-3-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrido[2,1-b]pyrimidin- 2-(3-methoxypropylamino)-3-[(Z)-…

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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) 1.10 6.26 -16.12 2 7 0 89 376.463 6 ↓

Analogs

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Popular Name: 2-(2-methoxyethylamino)-3-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrido[2,1-b]pyrimidin-4 2-(2-methoxyethylamino)-3-[(Z)-(…

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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) 0.83 5.5 -15.58 2 7 0 89 362.436 5 ↓

Analogs

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Popular Name: (5Z)-3-ethyl-5-[[2-(2-hydroxyethylamino)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-thia (5Z)-3-ethyl-5-[[2-(2-hydroxyeth…

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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) 0.66 -4.67 -16.46 2 7 0 88 376.463 5 ↓

Analogs

6592162
6592162
6593334
6593334
6594559
6594559

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Popular Name: (5E)-3-isopropyl-5-[[4-keto-2-(propylamino)pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-thiazolid (5E)-3-isopropyl-5-[[4-keto-2-(p…

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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) 2.53 -1.92 -16.93 1 6 0 68 388.518 5 ↓

Analogs

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Popular Name: (5Z)-3-butyl-5-[[4-keto-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-thia (5Z)-3-butyl-5-[[4-keto-9-methyl…

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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) 2.75 -1.13 -13.96 1 6 0 68 388.518 5 ↓

Analogs

5832829
5832829

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Popular Name: (5Z)-5-[[2-(allylamino)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-isobutyl-2-thioxo-thiazolidi (5Z)-5-[[2-(allylamino)-4-keto-p…

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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) 2.68 -0.94 -13.97 1 6 0 68 400.529 6 ↓

Analogs

6581276
6581276

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Popular Name: (5Z)-5-[[2-(allylamino)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-(2-methoxyethyl)-2-thioxo-th (5Z)-5-[[2-(allylamino)-4-keto-p…

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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) 1.54 -1.61 -15.72 1 7 0 77 402.501 7 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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