UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2-methoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-methoxyphenyl)amino]-3,5,6…

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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) 2.66 -0.94 -10.72 2 5 0 67 257.293 3 ↓

Analogs

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Popular Name: 2-(4-Methoxy-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Methoxy-phenylamino)-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) 2.70 -1.06 -11.62 2 5 0 67 257.293 3 ↓

Analogs

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Popular Name: 2-[(3-methoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3-methoxyphenyl)amino]-3,5,6…

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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) 2.68 -1.05 -12.42 2 5 0 67 257.293 3 ↓

Analogs

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Popular Name: 2-[(3-chloro-4-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3-chloro-4-methyl-phenyl)ami…

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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 -0.9 -11.32 2 4 0 58 275.739 2 ↓

Analogs

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Popular Name: 4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzoic 4-[(4-oxo-3,5,6,7-tetrahydrocycl…

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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 -1.49 -55.09 2 6 -1 98 270.268 3 ↓

Analogs

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Popular Name: propyl propyl

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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 0.11 -13.37 2 6 0 84 313.357 6 ↓

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) 3.19 0.04 -13.54 2 6 0 84 299.33 5 ↓

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) 2.82 0.07 -13.81 2 6 0 84 285.303 4 ↓

Analogs

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Popular Name: 2-(4-Bromo-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Bromo-phenylamino)-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) 3.46 -1.83 -10.54 2 4 0 58 306.163 2 ↓

Analogs

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Popular Name: 2-[(2,4-dimethoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2,4-dimethoxyphenyl)amino]-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 -0.92 -11.42 2 6 0 76 287.319 4 ↓

Analogs

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Popular Name: 2-(4-Fluoro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Fluoro-phenylamino)-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) 2.81 -0.33 -11.12 2 4 0 58 245.257 2 ↓

Analogs

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Popular Name: 2-(4-Chloro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Chloro-phenylamino)-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) 3.33 -1.22 -10.58 2 4 0 58 261.712 2 ↓

Analogs

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Popular Name: 2-(4-Chloro-3-trifluoromethyl-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Chloro-3-trifluoromethyl-ph…

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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 0.87 -11.36 2 4 0 58 329.709 3 ↓

Analogs

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Popular Name: 2-(3-Bromo-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(3-Bromo-phenylamino)-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) 3.43 -1.83 -10.07 2 4 0 58 306.163 2 ↓

Analogs

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Popular Name: 2-[(4-butylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-butylphenyl)amino]-3,5,6,7…

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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) 4.51 -0.34 -10.15 2 4 0 58 283.375 5 ↓

Analogs

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Popular Name: 2-[(5-chloro-2-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(5-chloro-2-methyl-phenyl)ami…

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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 -0.71 -10.83 2 4 0 58 275.739 2 ↓

Analogs

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Popular Name: isobutyl isobutyl

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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) 3.94 0.43 -13.15 2 6 0 84 327.384 6 ↓

Analogs

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Popular Name: propyl propyl

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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) 3.67 0.03 -15.48 2 6 0 84 313.357 6 ↓

Analogs

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Popular Name: butyl butyl

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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) 4.23 0.15 -15.38 2 6 0 84 327.384 7 ↓

Analogs

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Popular Name: 2-[(4-hydroxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-hydroxyphenyl)amino]-3,5,6…

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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) 2.17 -3.05 -12.17 3 5 0 78 243.266 2 ↓

Analogs

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Popular Name: 2-[(4-dimethylaminophenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-dimethylaminophenyl)amino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 -1.03 -11.26 2 5 0 61 270.336 3 ↓

Analogs

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Popular Name: 2-[(3,4-dimethoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3,4-dimethoxyphenyl)amino]-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 -0.73 -13.69 2 6 0 76 287.319 4 ↓

Analogs

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Popular Name: 2-[(4-chloro-2-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-chloro-2-methyl-phenyl)ami…

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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 -0.58 -10.2 2 4 0 58 275.739 2 ↓

Analogs

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Popular Name: 2-[(3-chloro-4-methoxy-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3-chloro-4-methoxy-phenyl)am…

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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 -1.15 -11.89 2 5 0 67 291.738 3 ↓

Analogs

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Popular Name: 2-[(2-methoxy-5-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-methoxy-5-methyl-phenyl)am…

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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) 3.08 -0.61 -10.67 2 5 0 67 271.32 3 ↓

Analogs

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Popular Name: 2-[(2-hydroxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-hydroxyphenyl)amino]-3,5,6…

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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) 2.38 -2.93 -10.8 3 5 0 78 243.266 2 ↓

Analogs

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Popular Name: 2-[(2-propoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-propoxyphenyl)amino]-3,5,6…

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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) 3.53 -0.84 -10.23 2 5 0 67 285.347 5 ↓

Analogs

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Popular Name: 4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]benzenesulfonamide 4-[(4-oxo-3,5,6,7-tetrahydrocycl…

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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) 1.34 -7.31 -17.99 4 7 0 118 306.347 3 ↓

Analogs

25497685
25497685
25497695
25497695
25497702
25497702

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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) 2.79 -0.02 -15.94 2 6 0 84 285.303 4 ↓

Analogs

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Popular Name: 2-[(2-hydroxy-5-methyl-phenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-hydroxy-5-methyl-phenyl)am…

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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 -2.46 -10.83 3 5 0 78 257.293 2 ↓

Analogs

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Popular Name: 2-[(2-ethoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2-ethoxyphenyl)amino]-3,5,6,…

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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) 3.03 -0.92 -10.49 2 5 0 67 271.32 4 ↓

Analogs

11991363
11991363

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Popular Name: 2-[(4-ethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-ethylphenyl)amino]-3,5,6,7…

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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) 3.56 -0.59 -10.2 2 4 0 58 255.321 3 ↓

Analogs

11991368
11991368

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Popular Name: 2-(m-tolylamino)-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-(m-tolylamino)-3,5,6,7-tetrahy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 -0.74 -10.47 2 4 0 58 241.294 2 ↓

Analogs

11991360
11991360

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Popular Name: 2-p-Tolylamino-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-p-Tolylamino-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) 3.10 -0.75 -10.37 2 4 0 58 241.294 2 ↓

Analogs

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Popular Name: 2-[(2,4-dimethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2,4-dimethylphenyl)amino]-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) 3.47 -0.11 -10.18 2 4 0 58 255.321 2 ↓

Analogs

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Popular Name: 2-[(2,3-dimethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2,3-dimethylphenyl)amino]-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) 3.45 -0.34 -10.26 2 4 0 58 255.321 2 ↓

Analogs

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Popular Name: 2-[(2,5-dimethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(2,5-dimethylphenyl)amino]-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) 3.47 -0.24 -10.25 2 4 0 58 255.321 2 ↓

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3,4-dimethylphenyl)amino]-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) 3.47 -0.46 -10.34 2 4 0 58 255.321 2 ↓

Analogs

11991362
11991362

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Popular Name: 2-[(3,5-dimethylphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3,5-dimethylphenyl)amino]-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) 3.47 -0.42 -10.35 2 4 0 58 255.321 2 ↓

Analogs

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Popular Name: 2-[(4-propoxyphenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(4-propoxyphenyl)amino]-3,5,6…

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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) 3.58 -0.97 -11.23 2 5 0 67 285.347 5 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 3.53 0.21 -15.8 2 6 0 84 313.357 5 ↓

Analogs

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Popular Name: 2-[(3,5-dichlorophenyl)amino]-3,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one 2-[(3,5-dichlorophenyl)amino]-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) 3.93 -1.36 -9.95 2 4 0 58 296.157 2 ↓

Analogs

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Popular Name: 2-(2-Fluoro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(2-Fluoro-phenylamino)-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) 2.76 7.86 -10.14 2 4 0 58 245.257 2 ↓

Analogs

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Popular Name: 2-(3-Trifluoromethyl-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(3-Trifluoromethyl-phenylamino…

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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 8.64 -10.84 2 4 0 58 295.264 3 ↓

Analogs

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Popular Name: 2-(3-Chloro-4-fluoro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(3-Chloro-4-fluoro-phenylamino…

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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) 3.42 8.19 -11.03 2 4 0 58 279.702 2 ↓

Analogs

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Popular Name: 4-(4-Hydroxy-6,7-dihydro-5H-cyclopentapyrimidin-2-ylamino)-benzonitrile 4-(4-Hydroxy-6,7-dihydro-5H-cycl…

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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) 2.40 8.01 -14.14 2 5 0 82 252.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-Difluoro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(3,4-Difluoro-phenylamino)-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) 2.90 7.74 -11.74 2 4 0 58 263.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-Trifluoromethyl-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(4-Trifluoromethyl-phenylamino…

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Activity (Go SEA)

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 8.62 -11.34 2 4 0 58 295.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-Difluoro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(2,4-Difluoro-phenylamino)-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) 2.90 7.93 -9.48 2 4 0 58 263.247 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-Difluoro-phenylamino)-6,7-dihydro-5H-cyclopentapyrimidin-4-ol 2-(2,5-Difluoro-phenylamino)-6,7…

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Activity (Go SEA)

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 7.93 -9.85 2 4 0 58 263.247 2 ↓

Parameters Provided:

ring.id = 66354
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 = 66354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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