UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-Bromo-2,4-dichlorothieno[3,2-d]pyrimidine 7-Bromo-2,4-dichlorothieno[3,2-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) 3.83 4.62 -5.76 0 2 0 26 283.965 0 ↓

Analogs

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Popular Name: [(3S,5S)-5-[2-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl] [(3S,5S)-5-[2-[4-[[1-[(3-fluorop…

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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) 5.09 12.92 -17.93 2 9 0 97 555.639 6 ↓
Mid Mid (pH 6-8) 5.09 14.22 -58.34 3 9 1 102 556.647 6 ↓

Analogs

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Popular Name: N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-e]pyrimidin-4-amine N-[(4-methyl-1,2,4-triazol-3-yl)…

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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) 0.30 6.5 -14.44 1 6 0 69 246.299 3 ↓
Lo Low (pH 4.5-6) 0.30 6.93 -39.64 2 6 1 70 247.307 3 ↓

Analogs

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Popular Name: 2-[(diisopentylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(diisopentylamino)methyl]-3H-…

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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) 4.42 7.25 -45.76 1 4 0 53 321.49 8 ↓
Mid Mid (pH 6-8) 3.96 9.85 -49.96 2 4 1 50 322.498 8 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propanoic (2R)-2-phenyl-2-(thieno[3,2-d]py…

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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) 2.55 8.98 -54.89 1 5 -1 78 298.347 4 ↓
Lo Low (pH 4.5-6) 2.55 9.44 -45.42 2 5 0 79 299.355 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propanoic (2S)-2-phenyl-2-(thieno[3,2-d]py…

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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) 2.55 8.98 -54.9 1 5 -1 78 298.347 4 ↓
Lo Low (pH 4.5-6) 2.55 9.44 -45.36 2 5 0 79 299.355 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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) 1.66 6.26 -51.63 4 4 1 65 285.396 5 ↓
Lo Low (pH 4.5-6) 1.66 6.72 -80.27 5 4 2 67 286.404 5 ↓

Analogs

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Popular Name: 6-ethyl-2-methoxy-3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5- 6-ethyl-2-methoxy-3-[[(7-methylt…

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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) 2.00 5.75 -14.18 1 7 0 80 369.45 5 ↓
Lo Low (pH 4.5-6) 2.00 6.2 -34.93 2 7 1 81 370.458 5 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(3-aminophenyl)methyl]thieno[…

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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) 1.73 5.31 -7.87 3 4 0 64 256.334 3 ↓
Lo Low (pH 4.5-6) 1.73 5.77 -29.29 4 4 1 65 257.342 3 ↓

Analogs

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Popular Name: [(3S)-1-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]-3-piperidyl]-pyrrolidin-1-yl-methanone [(3S)-1-[1-(7-methylthieno[3,2-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) 2.85 11.86 -49.36 1 6 1 54 414.599 3 ↓
Hi High (pH 8-9.5) 2.85 9.4 -13.13 0 6 0 53 413.591 3 ↓
Lo Low (pH 4.5-6) 2.85 12.31 -87.42 2 6 2 55 415.607 3 ↓

Analogs

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Popular Name: [(3R)-1-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]-3-piperidyl]-pyrrolidin-1-yl-methanone [(3R)-1-[1-(7-methylthieno[3,2-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) 2.85 11.78 -48.02 1 6 1 54 414.599 3 ↓
Hi High (pH 8-9.5) 2.85 9.67 -12.84 0 6 0 53 413.591 3 ↓
Lo Low (pH 4.5-6) 2.85 12.23 -85.98 2 6 2 55 415.607 3 ↓

Analogs

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Popular Name: (1S)-N,N-dimethyl-N'-thieno[3,2-d]pyrimidin-4-yl-1-(2-thienyl)ethane-1,2-diamine (1S)-N,N-dimethyl-N'-thieno[3,2-…

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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) 2.79 5.97 -7.38 1 4 0 41 304.444 5 ↓

Analogs

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Popular Name: (1R)-N,N-dimethyl-N'-thieno[3,2-d]pyrimidin-4-yl-1-(2-thienyl)ethane-1,2-diamine (1R)-N,N-dimethyl-N'-thieno[3,2-…

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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) 2.79 5.96 -7.56 1 4 0 41 304.444 5 ↓

Analogs

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Popular Name: 2,4-dibromo-6-[(E)-[(7-methylthieno[2,3-e]pyrimidin-4-yl)hydrazono]methyl]phenol 2,4-dibromo-6-[(E)-[(7-methylthi…

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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) 4.35 9.27 -19.22 2 5 0 75 442.136 3 ↓
Mid Mid (pH 6-8) 4.35 7.45 -12.21 2 5 0 70 442.136 3 ↓
Mid Mid (pH 6-8) 4.34 8.11 -44.86 1 5 -1 73 441.128 3 ↓

Analogs

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Popular Name: 4-chloro-6-(2,3-dihydro-1,4-benzodioxin-8-yl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,3-dihydro-1,4-benz…

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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) 3.70 7.2 -8.05 0 4 0 44 304.758 1 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)thieno[3,2-d]pyrimidin-4-amine N-(1,1-dioxothian-4-yl)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) 1.07 3.15 -15.65 1 5 0 72 283.378 2 ↓
Lo Low (pH 4.5-6) 1.07 3.61 -41.99 2 5 1 73 284.386 2 ↓

Analogs

12537042
12537042

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Popular Name: 4-[(2R)-2-methylindolin-1-yl]thieno[2,3-e]pyrimidine 4-[(2R)-2-methylindolin-1-yl]thi…

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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) 3.54 9.57 -9.37 0 3 0 29 267.357 1 ↓

Analogs

12537041
12537041

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Popular Name: 4-[(2S)-2-methylindolin-1-yl]thieno[2,3-e]pyrimidine 4-[(2S)-2-methylindolin-1-yl]thi…

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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) 3.54 9.57 -9.32 0 3 0 29 267.357 1 ↓

Analogs

39264623
39264623
39264624
39264624

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Popular Name: 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfa 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 2.60 7.3 -11.11 0 5 0 55 349.481 3 ↓

Analogs

39264623
39264623
39264624
39264624

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Popular Name: 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfa 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 2.60 7.54 -11.72 0 5 0 55 349.481 3 ↓

Analogs

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Popular Name: 1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfa 1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 2.60 7.57 -11.7 0 5 0 55 349.481 3 ↓

Analogs

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Popular Name: 1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfa 1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 2.60 7.3 -11.1 0 5 0 55 349.481 3 ↓

Analogs

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Popular Name: N-allyl-6-(4-methoxyphenyl)thieno[2,3-e]pyrimidin-4-amine N-allyl-6-(4-methoxyphenyl)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) 3.90 8.03 -7.52 1 4 0 47 297.383 5 ↓

Analogs

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Popular Name: [(2R)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]methanamine [(2R)-1-thieno[3,2-d]pyrimidin-4…

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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) 0.72 4.5 -47.78 3 4 1 57 235.336 2 ↓
Lo Low (pH 4.5-6) 0.72 4.95 -89.7 4 4 2 58 236.344 2 ↓

Analogs

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Popular Name: [(2S)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl]methanamine [(2S)-1-thieno[3,2-d]pyrimidin-4…

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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) 0.72 4.53 -47.78 3 4 1 57 235.336 2 ↓
Lo Low (pH 4.5-6) 0.72 4.98 -89.7 4 4 2 58 236.344 2 ↓

Analogs

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Popular Name: N-methyl-N-thieno[3,2-d]pyrimidin-4-yl-ethane-1,2-diamine N-methyl-N-thieno[3,2-d]pyrimidi…

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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) 0.33 3.4 -48.95 3 4 1 57 209.298 3 ↓
Hi High (pH 8-9.5) 0.33 3.01 -8.75 2 4 0 55 208.29 3 ↓

Analogs

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Popular Name: N,N'-dimethyl-N'-thieno[3,2-d]pyrimidin-4-yl-ethane-1,2-diamine N,N'-dimethyl-N'-thieno[3,2-d]py…

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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) 1.31 5.27 -44.23 2 4 1 46 223.325 4 ↓
Hi High (pH 8-9.5) 1.31 3.84 -8.66 1 4 0 41 222.317 4 ↓
Lo Low (pH 4.5-6) 1.31 5.73 -85.44 3 4 2 47 224.333 4 ↓

Analogs

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Popular Name: [(3R)-2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3R)-2-thieno[3,2-d]pyrimidin-4…

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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) 1.71 7.69 -49.88 3 4 1 57 297.407 2 ↓
Lo Low (pH 4.5-6) 1.71 8.16 -100.04 4 4 2 58 298.415 2 ↓

Analogs

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Popular Name: [(3S)-2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-thieno[3,2-d]pyrimidin-4…

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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) 1.71 7.69 -49.86 3 4 1 57 297.407 2 ↓
Lo Low (pH 4.5-6) 1.71 8.15 -100.07 4 4 2 58 298.415 2 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methyl]ethanamine N-[(1-thieno[3,2-d]pyrimidin-4-y…

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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) 2.11 7.81 -49.05 2 4 1 46 277.417 4 ↓
Lo Low (pH 4.5-6) 2.11 8.26 -80.96 3 4 2 47 278.425 4 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methyl]propan-1-amine N-[(1-thieno[3,2-d]pyrimidin-4-y…

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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) 2.61 8.56 -50.12 2 4 1 46 291.444 5 ↓
Lo Low (pH 4.5-6) 2.61 9.02 -82.45 3 4 2 47 292.452 5 ↓

Analogs

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Popular Name: N-[(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)methyl]propan-2-amine N-[(1-thieno[3,2-d]pyrimidin-4-y…

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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 8.31 -48.05 2 4 1 46 291.444 4 ↓
Lo Low (pH 4.5-6) 2.75 8.77 -80.24 3 4 2 47 292.452 4 ↓

Analogs

36754835
36754835
36885833
36885833
44513381
44513381
49492059
49492059

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Popular Name: 2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[cyclohexylmethyl(methyl)amin…

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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) 3.40 5.81 -46.26 1 4 0 53 291.42 4 ↓
Mid Mid (pH 6-8) 2.94 8.44 -51.82 2 4 1 50 292.428 4 ↓

Analogs

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Popular Name: 2-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-(2,3-dihydro-1,4-benzodiox…

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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) 2.54 6.22 -60.75 1 7 0 89 411.483 4 ↓
Mid Mid (pH 6-8) 2.08 8.87 -67.69 2 7 1 86 412.491 4 ↓

Analogs

13010326
13010326

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Popular Name: N-[(R)-(4-fluorophenyl)-(2-thienyl)methyl]thieno[2,3-e]pyrimidin-4-amine N-[(R)-(4-fluorophenyl)-(2-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) 4.52 10.47 -8.71 1 3 0 38 341.436 4 ↓

Analogs

13010324
13010324

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Popular Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]thieno[2,3-e]pyrimidin-4-amine N-[(S)-(4-fluorophenyl)-(2-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) 4.52 10.47 -8.72 1 3 0 38 341.436 4 ↓

Analogs

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Popular Name: 1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-amine 1-thieno[3,2-d]pyrimidin-4-ylpip…

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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) 0.79 4.29 -53.53 3 4 1 57 235.336 1 ↓
Lo Low (pH 4.5-6) 0.79 4.74 -87.3 4 4 2 58 236.344 1 ↓

Analogs

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Popular Name: N-tert-butyl-2-[4-[6-(4-methoxyphenyl)thieno[2,3-e]pyrimidin-4-yl]-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-[6-(4-methoxyp…

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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) 4.45 10.63 -46.01 2 7 1 72 454.62 6 ↓

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)thieno[2,3-e]pyrimidin-4-yl]sulfanyl-N-methyl-N-(2-thienylmethyl)acetamide 2-[6-(4-fluorophenyl)thieno[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) 4.75 12.28 -11.52 0 4 0 46 429.567 6 ↓

Analogs

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Popular Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-e]pyrimidine 4-[(3-ethyl-1,2,4-oxadiazol-5-yl…

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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) 2.27 4.99 -9 0 5 0 65 278.362 4 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-4-(4-methylsulfonyl-1,4-diazepan-1-yl)thieno[2,3-e]pyrimidine 6-(4-chlorophenyl)-4-(4-methylsu…

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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) 3.66 7.79 -13.31 0 6 0 66 422.963 3 ↓
Lo Low (pH 4.5-6) 3.66 8.22 -42.03 1 6 1 68 423.971 3 ↓

Analogs

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Popular Name: 2-[[3-(thieno[2,3-e]pyrimidin-4-ylamino)phenyl]sulfonylamino]benzoic 2-[[3-(thieno[2,3-e]pyrimidin-4-…

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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) 4.20 7.47 -56.97 2 8 -1 124 425.471 6 ↓

Analogs

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(6-methoxy-3-pyridyl)methyl]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) 1.84 4.13 -9.18 1 5 0 60 272.333 4 ↓
Lo Low (pH 4.5-6) 1.84 4.59 -33.19 2 5 1 61 273.341 4 ↓

Analogs

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Popular Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-thieno[2,3-e]pyrimidin-4-ylsulfanyl-acetamide N-(5-cyclopropyl-2-phenyl-pyrazo…

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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) 3.26 11.35 -16.89 1 6 0 73 407.524 6 ↓

Analogs

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Popular Name: 4-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methylsulfanyl]thieno[2,3-e]pyrimidine 4-[[2-(2,4-dimethylphenyl)oxazol…

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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) 4.89 8.35 -11.71 0 4 0 52 353.472 4 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-e]pyrimidin-4-one 6-(4-chlorophenyl)-2-[[4-(furan-…

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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) 3.89 7.63 -52.32 1 7 0 87 454.939 4 ↓
Hi High (pH 8-9.5) 3.89 5.43 -52.91 0 7 -1 86 453.931 4 ↓
Mid Mid (pH 6-8) 3.43 9.54 -84.3 2 7 1 84 455.947 4 ↓

Analogs

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Popular Name: 7-(2-methylphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(2-methylphenyl)-2-(methylthio…

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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) 4.80 5.18 -48.54 0 3 -1 49 287.389 2 ↓
Mid Mid (pH 6-8) 4.34 6.53 -13.4 1 3 0 46 288.397 2 ↓

Analogs

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Popular Name: 7-(4-methoxyphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(4-methoxyphenyl)-2-(methylthi…

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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) 4.46 3.98 -49.83 0 4 -1 58 303.388 3 ↓
Mid Mid (pH 6-8) 4.00 5.9 -10.47 1 4 0 55 304.396 3 ↓

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(3,4-dimethoxyphenyl)-2-(methy…

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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) 4.05 3.89 -50.04 0 5 -1 67 333.414 4 ↓
Mid Mid (pH 6-8) 3.59 5.81 -12.61 1 5 0 64 334.422 4 ↓

Analogs

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Popular Name: 7-(3,4-diethoxyphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(3,4-diethoxyphenyl)-2-(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) 4.80 5.73 -49.71 0 5 -1 67 361.468 6 ↓
Mid Mid (pH 6-8) 4.34 7.66 -12.26 1 5 0 64 362.476 6 ↓

Parameters Provided:

ring.id = 4169
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 = 4169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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