UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12539212
12539212

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Popular Name: (4S)-4-[2-(4-fluorophenyl)thiazol-4-yl]-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4S)-4-[2-(4-fluorophenyl)thiazo…

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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) 3.68 10.83 -20.11 3 6 0 81 364.409 2 ↓

Analogs

12539210
12539210

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Popular Name: (4R)-4-[2-(4-fluorophenyl)thiazol-4-yl]-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4R)-4-[2-(4-fluorophenyl)thiazo…

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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) 3.68 10.63 -21.74 3 6 0 81 364.409 2 ↓
Mid Mid (pH 6-8) 3.68 11.14 -39.48 4 6 1 83 365.417 2 ↓

Analogs

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Popular Name: (4R)-4-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2 (4R)-4-[3-(5-methyl-2-furyl)-1-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) 3.12 13.74 -16.75 3 8 0 99 409.453 3 ↓
Mid Mid (pH 6-8) 3.12 14.23 -35.28 4 8 1 101 410.461 3 ↓

Analogs

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Popular Name: (4R)-4-[(2S,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-3,4-dihydro-[1,3,5]triazin (4R)-4-[(2S,3R)-3,8,8-trimethyl-…

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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) 4.81 13.81 -38.26 4 5 1 70 364.517 1 ↓
Hi High (pH 8-9.5) 4.81 13.32 -16.81 3 5 0 68 363.509 1 ↓

Analogs

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Popular Name: (4R)-4-[(2S,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-3,4-dihydro-[1,3,5]triazin (4R)-4-[(2S,3S)-3,8,8-trimethyl-…

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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) 4.81 11.63 -38.88 4 5 1 70 364.517 1 ↓
Hi High (pH 8-9.5) 4.81 11.12 -17.3 3 5 0 68 363.509 1 ↓

Analogs

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Popular Name: (4R)-4-[(2R,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-3,4-dihydro-[1,3,5]triazin (4R)-4-[(2R,3R)-3,8,8-trimethyl-…

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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) 4.81 12.07 -38.07 4 5 1 70 364.517 1 ↓
Hi High (pH 8-9.5) 4.81 11.56 -16.72 3 5 0 68 363.509 1 ↓

Analogs

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Popular Name: (4R)-4-[(2R,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-3,4-dihydro-[1,3,5]triazin (4R)-4-[(2R,3S)-3,8,8-trimethyl-…

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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) 4.81 13.64 -39.02 4 5 1 70 364.517 1 ↓
Hi High (pH 8-9.5) 4.81 13.14 -17.12 3 5 0 68 363.509 1 ↓

Analogs

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Popular Name: (4R)-4-(4-phenyl-2-thienyl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(4-phenyl-2-thienyl)-3,4-…

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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) 4.05 12.04 -18.55 3 5 0 68 345.431 2 ↓
Mid Mid (pH 6-8) 4.05 12.54 -38.94 4 5 1 70 346.439 2 ↓

Analogs

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Popular Name: (4S)-4-(4-phenyl-2-thienyl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(4-phenyl-2-thienyl)-3,4-…

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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) 4.05 12.04 -18.56 3 5 0 68 345.431 2 ↓
Mid Mid (pH 6-8) 4.05 12.54 -38.93 4 5 1 70 346.439 2 ↓

Analogs

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Popular Name: (4R)-4-(9-anthryl)-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4R)-4-(9-anthryl)-3,4-dihydro-[…

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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) 4.72 12.98 -21.75 3 5 0 68 363.424 1 ↓
Mid Mid (pH 6-8) 4.72 13.48 -42.95 4 5 1 70 364.432 1 ↓

Analogs

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Popular Name: (4S)-4-(9-anthryl)-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4S)-4-(9-anthryl)-3,4-dihydro-[…

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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) 4.72 11.96 -19.02 3 5 0 68 363.424 1 ↓
Mid Mid (pH 6-8) 4.72 12.65 -37.69 4 5 1 70 364.432 1 ↓

Analogs

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Popular Name: (4R)-4-[5-(4-bromophenyl)-2-furyl]-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4R)-4-[5-(4-bromophenyl)-2-fury…

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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 12.76 -39.96 4 6 1 83 409.267 2 ↓
Mid Mid (pH 6-8) 4.41 12.26 -20.57 3 6 0 81 408.259 2 ↓

Analogs

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Popular Name: (4S)-4-[5-(4-bromophenyl)-2-furyl]-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4S)-4-[5-(4-bromophenyl)-2-fury…

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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 12.76 -39.97 4 6 1 83 409.267 2 ↓
Mid Mid (pH 6-8) 4.41 12.26 -20.56 3 6 0 81 408.259 2 ↓

Analogs

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Popular Name: (4R)-4-(2-chloro-3-quinolyl)-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4R)-4-(2-chloro-3-quinolyl)-3,4…

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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) 3.38 10.34 -15.37 3 6 0 81 348.797 1 ↓
Mid Mid (pH 6-8) 3.38 10.83 -35.83 4 6 1 83 349.805 1 ↓

Analogs

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Popular Name: (4S)-4-(2-chloro-3-quinolyl)-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4S)-4-(2-chloro-3-quinolyl)-3,4…

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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) 3.38 10.33 -15.39 3 6 0 81 348.797 1 ↓
Mid Mid (pH 6-8) 3.38 10.82 -35.87 4 6 1 83 349.805 1 ↓

Analogs

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Popular Name: (4R)-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4R)-4-[1-phenyl-3-(2-thienyl)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) 3.54 13.84 -16.77 3 7 0 86 411.494 3 ↓
Mid Mid (pH 6-8) 3.54 14.32 -35.43 4 7 1 88 412.502 3 ↓
Lo Low (pH 4.5-6) 3.66 14.53 -33.05 4 7 1 85 412.502 3 ↓

Analogs

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Popular Name: (4S)-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4S)-4-[1-phenyl-3-(2-thienyl)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) 3.54 13.93 -16.6 3 7 0 86 411.494 3 ↓
Mid Mid (pH 6-8) 3.54 14.41 -36.28 4 7 1 88 412.502 3 ↓

Analogs

38241169
38241169

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Popular Name: (4R)-4-(5-morpholino-2-furyl)-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4R)-4-(5-morpholino-2-furyl)-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) 1.76 8.37 -38.92 4 8 1 95 339.379 2 ↓
Mid Mid (pH 6-8) 1.89 8.43 -94.52 5 8 2 94 340.387 2 ↓
Mid Mid (pH 6-8) 1.76 7.86 -21.02 3 8 0 94 338.371 2 ↓

Analogs

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Popular Name: (4R)-4-(6,8-dichloro-2H-chromen-3-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(6,8-dichloro-2H-chromen-…

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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) 4.07 10.13 -21.55 3 6 0 77 386.242 1 ↓
Mid Mid (pH 6-8) 4.07 10.64 -44.47 4 6 1 79 387.25 1 ↓

Analogs

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Popular Name: (4S)-4-(6,8-dichloro-2H-chromen-3-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(6,8-dichloro-2H-chromen-…

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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) 4.07 9.97 -19.93 3 6 0 77 386.242 1 ↓
Mid Mid (pH 6-8) 4.07 10.48 -42.83 4 6 1 79 387.25 1 ↓

Analogs

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Popular Name: (4R)-4-(6-bromo-2H-chromen-3-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(6-bromo-2H-chromen-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) 3.60 9.69 -19.98 3 6 0 77 396.248 1 ↓
Mid Mid (pH 6-8) 3.60 10.2 -42.38 4 6 1 79 397.256 1 ↓

Analogs

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Popular Name: (4S)-4-(6-bromo-2H-chromen-3-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(6-bromo-2H-chromen-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) 3.60 9.53 -18.66 3 6 0 77 396.248 1 ↓
Mid Mid (pH 6-8) 3.60 10.04 -41.07 4 6 1 79 397.256 1 ↓

Analogs

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Popular Name: (4R)-4-(1-tert-butylpyrazol-4-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(1-tert-butylpyrazol-4-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) 1.99 8.78 -21.62 3 7 0 86 309.377 2 ↓
Mid Mid (pH 6-8) 1.99 9.28 -40.25 4 7 1 88 310.385 2 ↓

Analogs

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Popular Name: (4S)-4-(1-tert-butylpyrazol-4-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(1-tert-butylpyrazol-4-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) 1.99 8.78 -21.69 3 7 0 86 309.377 2 ↓
Mid Mid (pH 6-8) 1.99 9.28 -40.25 4 7 1 88 310.385 2 ↓

Analogs

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Popular Name: (4R)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(2-pyrrolidin-1-ylpyrimid…

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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) 1.68 10.04 -21.71 3 8 0 97 334.387 2 ↓
Mid Mid (pH 6-8) 1.68 10.55 -42.43 4 8 1 99 335.395 2 ↓

Analogs

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Popular Name: (4S)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(2-pyrrolidin-1-ylpyrimid…

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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) 1.68 10.05 -21.73 3 8 0 97 334.387 2 ↓
Mid Mid (pH 6-8) 1.68 10.56 -42.4 4 8 1 99 335.395 2 ↓

Analogs

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Popular Name: 2-[4-[(4R)-2-amino-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]-3,5-dimethyl-pyrazol-1-yl]et 2-[4-[(4R)-2-amino-3,4-dihydro-[…

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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) 0.62 3.66 -23.06 4 8 0 106 325.376 3 ↓
Mid Mid (pH 6-8) 0.62 4.18 -43.49 5 8 1 108 326.384 3 ↓

Analogs

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Popular Name: 2-[4-[(4S)-2-amino-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]-3,5-dimethyl-pyrazol-1-yl]et 2-[4-[(4S)-2-amino-3,4-dihydro-[…

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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) 0.62 5.51 -22.48 4 8 0 106 325.376 3 ↓
Mid Mid (pH 6-8) 0.62 6 -42.84 5 8 1 108 326.384 3 ↓

Analogs

12547698
12547698
12547699
12547699

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Popular Name: (4R)-4-[2-(p-tolyl)thiazol-4-yl]-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-[2-(p-tolyl)thiazol-4-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) 3.96 11.25 -22.19 3 6 0 81 360.446 2 ↓
Mid Mid (pH 6-8) 3.96 11.75 -37.68 4 6 1 83 361.454 2 ↓

Analogs

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Popular Name: (4R)-4-(2-phenylthiazol-5-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(2-phenylthiazol-5-yl)-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) 3.52 10.67 -19.98 3 6 0 81 346.419 2 ↓
Lo Low (pH 4.5-6) 3.52 11.16 -40.11 4 6 1 83 347.427 2 ↓

Analogs

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Popular Name: (4S)-4-(2-phenylthiazol-5-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(2-phenylthiazol-5-yl)-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) 3.52 10.65 -19.97 3 6 0 81 346.419 2 ↓
Lo Low (pH 4.5-6) 3.52 11.15 -40.2 4 6 1 83 347.427 2 ↓

Analogs

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Popular Name: (4R)-4-(3-fluoro-4-methyl-phenyl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(3-fluoro-4-methyl-phenyl…

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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) 2.97 9.64 -39.48 4 5 1 70 296.329 1 ↓
Hi High (pH 8-9.5) 2.97 9.15 -20.49 3 5 0 68 295.321 1 ↓

Analogs

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Popular Name: (4S)-4-(3-fluoro-4-methyl-phenyl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(3-fluoro-4-methyl-phenyl…

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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) 2.97 9.64 -39.54 4 5 1 70 296.329 1 ↓
Hi High (pH 8-9.5) 2.97 9.15 -20.5 3 5 0 68 295.321 1 ↓

Analogs

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Popular Name: (4S)-4-[2-[(4-methylphenoxy)methyl]thiazol-4-yl]-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-am (4S)-4-[2-[(4-methylphenoxy)meth…

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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) 3.43 10.85 -23.38 3 7 0 90 390.472 4 ↓
Mid Mid (pH 6-8) 3.43 11.35 -44.33 4 7 1 92 391.48 4 ↓

Analogs

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Popular Name: (4R)-4-(2-ethylthiazol-4-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(2-ethylthiazol-4-yl)-3,4…

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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) 1.88 8.28 -21.65 3 6 0 81 298.375 2 ↓
Mid Mid (pH 6-8) 1.88 8.78 -36.48 4 6 1 83 299.383 2 ↓

Analogs

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Popular Name: (4S)-4-(2-tert-butylthiazol-4-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(2-tert-butylthiazol-4-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) 3.04 8.4 -16.37 3 6 0 81 326.429 2 ↓
Mid Mid (pH 6-8) 3.04 8.89 -37 4 6 1 83 327.437 2 ↓

Analogs

7127761
7127761
7127772
7127772

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Popular Name: (4R)-4-[5-(p-tolyl)-2-thienyl]-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-[5-(p-tolyl)-2-thienyl]-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) 4.69 13.05 -19.24 3 5 0 68 359.458 2 ↓
Mid Mid (pH 6-8) 4.69 13.54 -38.24 4 5 1 70 360.466 2 ↓

Parameters Provided:

ring.id = 106222
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 = 106222 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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