UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazine-2-carboxylic (2S)-4-[4-(methylamino)-6,7-dihy…

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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) -0.75 7.56 -56.61 4 7 1 99 278.336 3 ↓
Hi High (pH 8-9.5) -0.75 7.27 -37.28 3 7 0 98 277.328 3 ↓

Analogs

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Popular Name: (2R)-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazine-2-carboxylic (2R)-4-[4-(methylamino)-6,7-dihy…

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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) -0.75 7.59 -65.78 4 7 1 99 278.336 3 ↓
Hi High (pH 8-9.5) -0.75 7.22 -37.65 3 7 0 98 277.328 3 ↓

Analogs

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Popular Name: 4-chloro-2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-chloro-2-(2-thienylmethyl)-6,7…

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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) 3.65 7.48 -6.53 0 2 0 26 250.754 2 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(2-thienylmethyl)-6,7-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) 2.46 5.85 -7.64 2 3 0 52 231.324 2 ↓
Mid Mid (pH 6-8) 2.46 6.33 -27.91 3 3 1 53 232.332 2 ↓

Analogs

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Popular Name: N-methyl-2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-methyl-2-(2-thienylmethyl)-6,7…

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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) 2.83 7.48 -27.19 2 3 1 39 246.359 3 ↓
Mid Mid (pH 6-8) 2.83 7 -7.93 1 3 0 38 245.351 3 ↓

Analogs

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Popular Name: N-ethyl-2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-ethyl-2-(2-thienylmethyl)-6,7-…

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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 8.33 -26.79 2 3 1 39 260.386 4 ↓
Mid Mid (pH 6-8) 3.21 7.83 -7.48 1 3 0 38 259.378 4 ↓

Analogs

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Popular Name: N-propyl-2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-propyl-2-(2-thienylmethyl)-6,7…

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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 9.08 -26.86 2 3 1 39 274.413 5 ↓
Mid Mid (pH 6-8) 3.71 8.59 -7.34 1 3 0 38 273.405 5 ↓

Analogs

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Popular Name: [2-(2-thienylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine [2-(2-thienylmethyl)-6,7-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) 2.22 5.71 -8.62 3 4 0 64 246.339 3 ↓

Analogs

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Popular Name: 4-chloro-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-chloro-2-(4-propoxyphenyl)-6,7…

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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) 4.74 9.08 -6.79 0 3 0 35 288.778 4 ↓

Analogs

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Popular Name: 2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(4-propoxyphenyl)-6,7-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) 3.54 7.44 -8.37 2 4 0 61 269.348 4 ↓
Mid Mid (pH 6-8) 3.54 7.78 -25.99 3 4 1 62 270.356 4 ↓

Analogs

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Popular Name: N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-methyl-2-(4-propoxyphenyl)-6,7…

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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 8.93 -25.3 2 4 1 48 284.383 5 ↓
Mid Mid (pH 6-8) 3.92 8.59 -8.56 1 4 0 47 283.375 5 ↓

Analogs

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Popular Name: [2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine [2-(4-propoxyphenyl)-6,7-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) 3.31 7.33 -9.18 3 5 0 73 284.363 5 ↓

Analogs

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Popular Name: 4-chloro-2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-chloro-2-(3-propoxyphenyl)-6,7…

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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 9.08 -8.62 0 3 0 35 288.778 4 ↓

Analogs

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Popular Name: 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(3-propoxyphenyl)-6,7-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) 3.52 7.45 -9.72 2 4 0 61 269.348 4 ↓
Mid Mid (pH 6-8) 3.52 7.77 -26.81 3 4 1 62 270.356 4 ↓

Analogs

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Popular Name: N-methyl-2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-methyl-2-(3-propoxyphenyl)-6,7…

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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 8.6 -9.94 1 4 0 47 283.375 5 ↓
Mid Mid (pH 6-8) 3.90 8.92 -26.08 2 4 1 48 284.383 5 ↓

Analogs

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Popular Name: [2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine [2-(3-propoxyphenyl)-6,7-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) 3.28 7.33 -10.56 3 5 0 73 284.363 5 ↓

Analogs

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Popular Name: (3R)-3-[(E)-cinnamyl]-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxylic (3R)-3-[(E)-cinnamyl]-1-(6,7-dih…

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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) 3.45 13.75 -51.77 0 5 -1 69 362.453 5 ↓
Mid Mid (pH 6-8) 3.45 14.19 -64.13 1 5 0 70 363.461 5 ↓

Analogs

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Popular Name: (3S)-3-[(E)-cinnamyl]-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxylic (3S)-3-[(E)-cinnamyl]-1-(6,7-dih…

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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) 3.45 14.05 -57.79 0 5 -1 69 362.453 5 ↓
Mid Mid (pH 6-8) 3.45 14.48 -52.9 1 5 0 70 363.461 5 ↓

Analogs

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Popular Name: 4-[4-(3-methylbut-2-enyl)piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidine 4-[4-(3-methylbut-2-enyl)piperaz…

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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 -0.88 -41.54 1 4 1 33 349.502 4 ↓

Analogs

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Popular Name: 1-cinnamyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-2-yl)ethyl]triazole-4-carboxamide 1-cinnamyl-N-[2-(4-methyl-6,7-di…

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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) 2.72 -1.5 -15.81 1 7 0 86 388.475 7 ↓

Analogs

11813856
11813856

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Popular Name: (3R)-N-[(3-methylisoxazol-5-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperi (3R)-N-[(3-methylisoxazol-5-yl)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) 3.45 -2.71 -17.41 1 7 0 84 417.513 5 ↓

Analogs

11813854
11813854

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Popular Name: (3S)-N-[(3-methylisoxazol-5-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperi (3S)-N-[(3-methylisoxazol-5-yl)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) 3.45 -2.91 -16.08 1 7 0 84 417.513 5 ↓

Analogs

11814200
11814200

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Popular Name: N-[(2S)-2-hydroxybutyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-4-carboxam N-[(2S)-2-hydroxybutyl]-1-(2-phe…

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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) 3.34 -6.08 -12.21 2 6 0 78 394.519 6 ↓

Analogs

11814199
11814199

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Popular Name: N-[(2R)-2-hydroxybutyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-4-carboxam N-[(2R)-2-hydroxybutyl]-1-(2-phe…

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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) 3.34 -6.01 -12.18 2 6 0 78 394.519 6 ↓

Analogs

11814378
11814378
12439564
12439564
12439565
12439565
12718961
12718961
12718962
12718962

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Popular Name: [(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)-3-piperidyl]-(1-piperidyl)methanone [(3S)-1-(2-phenyl-6,7-dihydro-5H…

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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) 4.26 -2.88 -13.67 0 5 0 49 390.531 3 ↓

Analogs

12439564
12439564
12439565
12439565
12718961
12718961
12718962
12718962
14955136
14955136

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Popular Name: [(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)-3-piperidyl]-(1-piperidyl)methanone [(3R)-1-(2-phenyl-6,7-dihydro-5H…

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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) 4.26 -2.52 -16.47 0 5 0 49 390.531 3 ↓

Analogs

11815911
11815911

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Popular Name: (3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine- (3S)-1-(2-phenyl-6,7-dihydro-5H-…

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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) 3.22 -5.63 -20.56 2 7 0 87 416.529 6 ↓

Analogs

11815908
11815908

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Popular Name: (3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine- (3R)-1-(2-phenyl-6,7-dihydro-5H-…

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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) 3.22 -5.42 -21.89 2 7 0 87 416.529 6 ↓

Analogs

6704391
6704391
6705106
6705106
6705556
6705556

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Popular Name: 2-phenyl-4-(4-propylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[e]pyrimidine 2-phenyl-4-(4-propylpiperazin-1-…

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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) 4.00 -1.42 -42.15 1 4 1 33 323.464 4 ↓

Analogs

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Popular Name: N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-2-yl)ethyl]-1-[2-(1-piperidyl)ethyl]triazole-4- N-[2-(4-methyl-6,7-dihydro-5H-cy…

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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) 1.30 -2.25 -50.27 2 8 1 90 384.508 7 ↓

Analogs

11818162
11818162

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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) 3.20 -2.6 -19.02 1 7 0 84 422.529 8 ↓

Analogs

11818161
11818161

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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) 3.20 -2.69 -17.13 1 7 0 84 422.529 8 ↓

Analogs

11818327
11818327
67947476
67947476
67947477
67947477

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Popular Name: (3R)-N-(2-hydroxy-1,1-dimethyl-ethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperid (3R)-N-(2-hydroxy-1,1-dimethyl-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) 3.29 -5.66 -16.94 2 6 0 78 394.519 5 ↓

Analogs

67947476
67947476
67947477
67947477
11818326
11818326

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Popular Name: (3S)-N-(2-hydroxy-1,1-dimethyl-ethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperid (3S)-N-(2-hydroxy-1,1-dimethyl-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) 3.29 -5.82 -16.11 2 6 0 78 394.519 5 ↓

Analogs

11818350
11818350

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Popular Name: morpholino-[(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)-3-piperidyl]methanone morpholino-[(3R)-1-(2-phenyl-6,7…

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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) 3.20 -3.6 -16.74 0 6 0 59 392.503 3 ↓

Analogs

11818349
11818349

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Popular Name: morpholino-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)-3-piperidyl]methanone morpholino-[(3S)-1-(2-phenyl-6,7…

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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) 3.20 -3.8 -16.06 0 6 0 59 392.503 3 ↓

Analogs

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Popular Name: N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)-N-(2H-pyrazol-3-ylmethyl)piperidine N-methyl-1-(2-phenyl-6,7-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) 3.37 10.03 -14.48 1 7 0 78 416.529 5 ↓

Analogs

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Popular Name: 2-phenyl-4-[4-(1-phenyl-4-piperidyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine 2-phenyl-4-[4-(1-phenyl-4-piperi…

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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) 5.24 -3.74 -44.46 1 5 1 37 440.615 4 ↓

Analogs

11838290
11838290
12707091
12707091
12707096
12707096

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Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)pip N-[[(2R)-1,4-dioxan-2-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) 2.98 -3.72 -15.71 0 7 0 68 436.556 5 ↓

Analogs

12707091
12707091
12707096
12707096
11838289
11838289

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Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)pip N-[[(2S)-1,4-dioxan-2-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) 2.98 -3.57 -13.36 0 7 0 68 436.556 5 ↓

Analogs

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Popular Name: N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-2-yl)ethyl]-5-(2-naphthyl)-1,2,4-triazin-3-amin N-[2-(4-methyl-6,7-dihydro-5H-cy…

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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 11.97 -13.66 1 6 0 76 382.471 5 ↓

Analogs

11838305
11838305
12055603
12055603
12055606
12055606
12055667
12055667
12055669
12055669

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Popular Name: (3R)-N-cyclopentyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-3-carboxamide (3R)-N-cyclopentyl-1-(2-phenyl-6…

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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 -3.59 -16.51 1 5 0 58 390.531 4 ↓

Analogs

12055603
12055603
12055606
12055606
12055667
12055667
12055669
12055669
67688793
67688793

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Popular Name: (3S)-N-cyclopentyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-3-carboxamide (3S)-N-cyclopentyl-1-(2-phenyl-6…

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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 -3.8 -15.25 1 5 0 58 390.531 4 ↓

Analogs

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Popular Name: N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-2-yl)ethyl]-5-(tetralin-6-yloxymethyl)isoxazole N-[2-(4-methyl-6,7-dihydro-5H-cy…

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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) 4.01 -1.79 -13.79 1 7 0 90 432.524 7 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-4-carb N-[(4-methoxyphenyl)methyl]-1-(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) 4.56 12.28 -16.17 1 6 0 67 442.563 6 ↓
Mid Mid (pH 6-8) 4.56 12.61 -34.95 2 6 1 69 443.571 6 ↓

Analogs

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Popular Name: N-(2-methylsulfanylethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-4-carbox N-(2-methylsulfanylethyl)-1-(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) 3.63 -4.05 -14.1 1 5 0 58 396.56 6 ↓

Analogs

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)-4-p [(2S)-2-(hydroxymethyl)pyrrolidi…

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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 -4.91 -14.37 1 6 0 70 406.53 4 ↓

Analogs

11843485
11843485

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Popular Name: 2-[(2R)-1-isopentyl-3-oxo-piperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-2-yl) 2-[(2R)-1-isopentyl-3-oxo-pipera…

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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) 2.63 -4.2 -44.69 3 7 1 88 388.536 8 ↓

Analogs

11843484
11843484

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Popular Name: 2-[(2S)-1-isopentyl-3-oxo-piperazin-2-yl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-2-yl) 2-[(2S)-1-isopentyl-3-oxo-pipera…

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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) 2.63 -4.14 -44.47 3 7 1 88 388.536 8 ↓

Analogs

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Popular Name: N-indan-2-yl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)piperidine-4-carboxamide N-indan-2-yl-1-(2-phenyl-6,7-dih…

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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 13.28 -17.31 1 5 0 58 438.575 4 ↓
Mid Mid (pH 6-8) 4.89 13.57 -38.98 2 5 1 59 439.583 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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