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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 7-phenyl-N-(4-quinolylmethyleneamino)-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amine 7-phenyl-N-(4-quinolylmethylenea…

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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) 4.67 -0.86 -13.54 1 5 0 63 381.464 4 ↓

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: 7-phenyl-N-(quinoxalin-2-ylmethyleneamino)-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amin 7-phenyl-N-(quinoxalin-2-ylmethy…

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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) 4.47 10.13 -11.69 1 6 0 76 382.452 4 ↓

Analogs

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Popular Name: 1-[(3-acetylphenyl)carbamoyl]ethyl 1-[(3-acetylphenyl)carbamoyl]ethyl

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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) 2.92 -0.32 -22.42 1 7 0 98 415.496 8 ↓

Analogs

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Popular Name: 1-[(3-acetylphenyl)carbamoyl]ethyl 1-[(3-acetylphenyl)carbamoyl]ethyl

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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) 2.92 -0.35 -23.41 1 7 0 98 415.496 8 ↓

Analogs

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Popular Name: (3-fluorophenyl)carbamoylmethyl (3-fluorophenyl)carbamoylmethyl

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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) 2.82 -0.32 -17.26 1 6 0 81 377.422 7 ↓

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-(4-chlorophenoxy)ethyl 2-(4-chlorophenoxy)ethyl

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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) 4.15 -0.38 -10.91 0 5 0 61 380.878 8 ↓

Analogs

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Popular Name: 2-(2-methylphenoxy)ethyl 2-(2-methylphenoxy)ethyl

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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) 3.87 0.17 -11.03 0 5 0 61 360.46 8 ↓

Analogs

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Popular Name: 2-(4-fluorophenoxy)ethyl 2-(4-fluorophenoxy)ethyl

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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) 3.63 0.51 -11.45 0 5 0 61 364.423 8 ↓

Analogs

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Popular Name: 2-phenoxyethyl 2-phenoxyethyl

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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) 3.47 -0.23 -11.07 0 5 0 61 346.433 8 ↓

Analogs

25445737
25445737

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Popular Name: (2-phenylthiazol-4-yl)methyl (2-phenylthiazol-4-yl)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) 4.56 -1.25 -11.65 0 5 0 64 399.522 7 ↓

Analogs

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Popular Name: p-tolylmethyl p-tolylmethyl

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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) 3.92 0.36 -9.07 0 4 0 52 330.434 6 ↓

Analogs

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Popular Name: (2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl (2-oxo-7-thia-1,5-diazabicyclo[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) 2.56 -1.23 -16.51 0 7 0 86 390.471 6 ↓

Analogs

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Popular Name: (3-fluorophenyl)methyl (3-fluorophenyl)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) 3.62 0.77 -9.91 0 4 0 52 334.397 6 ↓

Analogs

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Popular Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] [2-(2,5-dimethylphenyl)-2-oxo-et…

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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) 3.85 1.01 -11.52 0 5 0 69 372.471 7 ↓

Analogs

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Popular Name: cyclohexylcarbamoylcarbamoylmethyl cyclohexylcarbamoylcarbamoylmethyl

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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 -3.32 -23.06 2 8 0 110 408.505 7 ↓

Analogs

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Popular Name: 1-[(4-methoxyphenyl)methylcarbamoyl]ethyl 1-[(4-methoxyphenyl)methylcarbam…

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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) 2.81 -1.44 -14.39 1 7 0 90 417.512 9 ↓

Analogs

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Popular Name: 1-[(4-methoxyphenyl)methylcarbamoyl]ethyl 1-[(4-methoxyphenyl)methylcarbam…

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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) 2.81 -1.51 -14.5 1 7 0 90 417.512 9 ↓

Analogs

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Popular Name: benzoylcarbamoylmethyl benzoylcarbamoylmethyl

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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) 2.02 -0.68 -22.81 1 7 0 98 387.442 7 ↓

Analogs

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Popular Name: 1-allophanoylethyl 1-allophanoylethyl

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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) 0.63 -3.83 -23.36 3 8 0 124 340.386 6 ↓

Analogs

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Popular Name: 1-allophanoylethyl 1-allophanoylethyl

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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) 0.63 -3.9 -23.21 3 8 0 124 340.386 6 ↓

Analogs

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Popular Name: 1-carbamoylethyl 1-carbamoylethyl

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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) 0.98 -2.61 -14.24 2 6 0 95 297.361 6 ↓

Analogs

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Popular Name: 1-carbamoylethyl 1-carbamoylethyl

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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) 0.98 -2.65 -14.15 2 6 0 95 297.361 6 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)carbamoyl]ethyl 1-[(4-fluorophenyl)carbamoyl]ethyl

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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) 3.21 -0.03 -14.94 1 6 0 81 391.449 7 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)carbamoyl]ethyl 1-[(4-fluorophenyl)carbamoyl]ethyl

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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) 3.21 -0.06 -14.68 1 6 0 81 391.449 7 ↓

Analogs

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Popular Name: o-tolylmethyl o-tolylmethyl

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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) 3.88 0.34 -9.05 0 4 0 52 330.434 6 ↓

Analogs

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Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-ethyl]

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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) 3.71 0.33 -11.94 0 5 0 69 378.862 7 ↓

Analogs

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Popular Name: [2-(4-fluorophenyl)-2-oxo-ethyl] [2-(4-fluorophenyl)-2-oxo-ethyl]

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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) 3.19 1.22 -12.3 0 5 0 69 362.407 7 ↓

Analogs

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Popular Name: 3,4-dihydro-2H-quinolin-1-ylcarbonylmethyl 3,4-dihydro-2H-quinolin-1-ylcarb…

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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) 3.44 -0.24 -15.41 0 6 0 72 399.497 6 ↓

Analogs

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Popular Name: 2-tert-butyl-4,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide 2-tert-butyl-4,5-dimethyl-N-[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) 4.78 11.79 -43.06 2 6 1 63 438.621 4 ↓
Mid Mid (pH 6-8) 4.78 9.43 -7.57 1 6 0 61 437.613 4 ↓

Analogs

31944807
31944807

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Popular Name: 8-methyl-2-methylsulfanyl-7-thia-3,5-diazabicyclo[4.3.0]nona-1,3,5,8-tetraene 8-methyl-2-methylsulfanyl-7-thia…

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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) 2.24 5.87 -6.35 0 2 0 26 196.3 1 ↓

Analogs

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Popular Name: 2-[[9-(4-chlorophenyl)-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl]sulfanyl]-N-[4-(dime 2-[[9-(4-chlorophenyl)-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) 4.54 -5.54 -17.89 1 7 0 92 519.073 7 ↓

Analogs

12469674
12469674
1290798
1290798

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Popular Name: N-methyl-2-[(9-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)sulfanyl]-N-(4-phenyl N-methyl-2-[(9-phenyl-7-thia-3,5…

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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) 5.52 -0.56 -13.12 0 5 0 58 474.636 6 ↓

Analogs

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Popular Name: methyl 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) 5.26 -1.3 -12.88 1 6 0 81 495.651 7 ↓

Analogs

31946973
31946973

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Popular Name: N-allyl-2-[(3,7,8-trimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfanyl]acetami N-allyl-2-[(3,7,8-trimethyl-9-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) 2.46 -2.46 -10.8 1 4 0 54 307.444 5 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[(3,7,8-trimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)s N-(2,4-difluorophenyl)-2-[(3,7,8…

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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) 3.76 -0.44 -9.79 1 4 0 54 379.457 4 ↓

Analogs

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Popular Name: 2-[(7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)amino]-1-[4-(1-piperidylcar 2-[(7,8-dimethyl-9-thia-2,4-diaz…

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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) 2.26 -3 -18.09 1 7 0 78 415.563 4 ↓

Analogs

8980727
8980727

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Popular Name: N',N'-dimethyl-6-[1-[(3,7,8-trimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfan N',N'-dimethyl-6-[1-[(3,7,8-trim…

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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) 2.90 -2.94 -11.31 2 7 0 93 375.527 4 ↓

Analogs

8980723
8980723

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Popular Name: N',N'-dimethyl-6-[1-[(3,7,8-trimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfan N',N'-dimethyl-6-[1-[(3,7,8-trim…

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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) 2.90 -2.88 -11.33 2 7 0 93 375.527 4 ↓

Analogs

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Popular Name: (3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoylmethyl (3-carbamoyl-4,5,6,7-tetrahydrob…

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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) 2.39 -4.98 -17.64 3 8 0 124 462.578 8 ↓

Analogs

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Popular Name: (2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)carbonylmethyl (2,2-dimethyl-3-oxo-4H-quinoxali…

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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) 2.73 -1.28 -15.11 1 8 0 101 442.522 6 ↓

Analogs

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Popular Name: 4-[[3-methyl-7-(2-thienyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl]sulfanylmethyl]-7 4-[[3-methyl-7-(2-thienyl)-9-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) 4.30 -2.39 -14.67 0 5 0 60 428.589 4 ↓

Analogs

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Popular Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2S,4R)-4-ethoxypyrrolidin-2-yl]ethynyl]thieno[ N-[3-chloro-4-[(3-fluorophenyl)m…

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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) 6.50 12.92 -13.39 2 6 0 68 523.033 7 ↓
Mid Mid (pH 6-8) 6.50 14.27 -52.63 3 6 1 73 524.041 7 ↓

Analogs

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Popular Name: [4-(allylamino)-5-methyl-thieno[4,5-e]pyrimidin-6-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]met [4-(allylamino)-5-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) 3.30 8.67 -10.88 1 7 0 71 437.569 7 ↓

Analogs

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Popular Name: 5,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-e]pyrimidin-4-amine 5,6-dimethyl-N-[(4-methyl-1,2,4-…

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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) 0.90 8.36 -14.99 1 6 0 69 274.353 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.42 7.99 -9.96 0 7 0 71 369.45 5 ↓
Lo Low (pH 4.5-6) 2.42 8.27 -44.21 1 7 1 73 370.458 5 ↓

Analogs

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Popular Name: 2-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine 2-[(3-isopropyl-1,2,4-oxadiazol-…

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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) 3.11 3.68 -11.82 2 6 0 91 307.404 4 ↓

Analogs

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Popular Name: methyl 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) 5.64 8.77 -41.1 0 5 -1 75 447.97 5 ↓

Analogs

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Popular Name: N-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-methoxy-N-methyl-propan-1-amine N-[(4-chloro-5,6-dimethyl-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) 2.86 4.81 -7.47 0 4 0 38 313.854 6 ↓
Mid Mid (pH 6-8) 2.86 7.15 -36.3 1 4 1 39 314.862 6 ↓

Parameters Provided:

ring.id = 1609
filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

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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 = 1609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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