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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: (2S)-2-cyclopentyl-N'-hydroxy-pyrrolidine-1-carboxamidine (2S)-2-cyclopentyl-N'-hydroxy-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 4.28 -5.52 3 4 0 62 197.282 2 ↓

Analogs

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Popular Name: (2R)-2-cyclopentyl-N'-hydroxy-pyrrolidine-1-carboxamidine (2R)-2-cyclopentyl-N'-hydroxy-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 4.94 -5.96 3 4 0 62 197.282 2 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2-methoxy-ethanamine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 1.93 5.62 -30.87 2 3 1 26 241.399 7 ↓
Mid Mid (pH 6-8) 1.93 6.96 -110.25 3 3 2 30 242.407 7 ↓
Mid Mid (pH 6-8) 1.93 4.93 -36.25 2 3 1 29 241.399 7 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2-methoxy-ethanamine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 1.93 5.6 -30.82 2 3 1 26 241.399 7 ↓
Mid Mid (pH 6-8) 1.93 4.98 -36 2 3 1 29 241.399 7 ↓
Mid Mid (pH 6-8) 1.93 6.93 -110.82 3 3 2 30 242.407 7 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]butan-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 3.39 9.35 -113.55 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.39 8.01 -30.55 2 2 1 16 239.427 7 ↓
Mid Mid (pH 6-8) 3.39 7.33 -38.01 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]butan-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 3.39 9.33 -114.12 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.39 7.99 -30.56 2 2 1 16 239.427 7 ↓
Mid Mid (pH 6-8) 3.39 7.37 -37.64 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: (2S)-N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-1-methoxy-propan-2-amine (2S)-N-[2-[(2R)-2-cyclopentylpyr…

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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) 2.62 7.56 -109.87 3 3 2 30 256.434 7 ↓
Mid Mid (pH 6-8) 2.62 6.32 -32.13 2 3 1 26 255.426 7 ↓
Mid Mid (pH 6-8) 2.62 5.53 -35.14 2 3 1 29 255.426 7 ↓

Analogs

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Popular Name: (2R)-N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-1-methoxy-propan-2-amine (2R)-N-[2-[(2R)-2-cyclopentylpyr…

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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) 2.62 7.55 -109.88 3 3 2 30 256.434 7 ↓
Mid Mid (pH 6-8) 2.62 5.53 -34.87 2 3 1 29 255.426 7 ↓
Mid Mid (pH 6-8) 2.62 6.33 -31.62 2 3 1 26 255.426 7 ↓

Analogs

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Popular Name: (2R)-N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]pentan-2-amine (2R)-N-[2-[(2R)-2-cyclopentylpyr…

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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 9.91 -112.29 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 4.07 8.89 -30.93 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 4.07 7.89 -35.9 2 2 1 20 253.454 7 ↓

Analogs

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Popular Name: (2S)-N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]pentan-2-amine (2S)-N-[2-[(2R)-2-cyclopentylpyr…

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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 9.91 -112.35 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 4.07 8.73 -30.87 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 4.07 7.88 -35.98 2 2 1 20 253.454 7 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-methyl-butan-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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 9.86 -115.11 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 3.60 8.51 -30.7 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 3.60 7.83 -38.61 2 2 1 20 253.454 7 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-methyl-butan-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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 9.84 -115.65 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 3.60 8.49 -30.64 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 3.60 7.88 -38.3 2 2 1 20 253.454 7 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-methoxy-propan-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 2.21 7.64 -116.51 3 3 2 30 256.434 8 ↓
Mid Mid (pH 6-8) 2.21 5.62 -40.45 2 3 1 29 255.426 8 ↓
Mid Mid (pH 6-8) 2.21 6.3 -32.93 2 3 1 26 255.426 8 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-methoxy-propan-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 2.21 7.62 -117.11 3 3 2 30 256.434 8 ↓
Mid Mid (pH 6-8) 2.21 5.66 -40.06 2 3 1 29 255.426 8 ↓
Mid Mid (pH 6-8) 2.21 6.28 -32.8 2 3 1 26 255.426 8 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]pentan-3-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 4.04 9.77 -112.27 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 4.04 8.73 -31.12 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 4.04 7.75 -35.53 2 2 1 20 253.454 7 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]pentan-3-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 4.04 9.74 -112.94 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 4.04 8.7 -31.04 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 4.04 7.7 -35.1 2 2 1 20 253.454 7 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]prop-2-en-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 2.59 8.38 -112.32 3 2 2 21 224.392 6 ↓
Mid Mid (pH 6-8) 2.59 6.35 -37.05 2 2 1 20 223.384 6 ↓
Mid Mid (pH 6-8) 2.59 7.01 -31.03 2 2 1 16 223.384 6 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]prop-2-en-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 2.59 8.35 -112.96 3 2 2 21 224.392 6 ↓
Mid Mid (pH 6-8) 2.59 6.4 -36.67 2 2 1 20 223.384 6 ↓
Mid Mid (pH 6-8) 2.59 6.99 -30.91 2 2 1 16 223.384 6 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2-ethoxy-ethanamine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 2.31 6.58 -30.64 2 3 1 26 255.426 8 ↓
Mid Mid (pH 6-8) 2.31 5.91 -36.3 2 3 1 29 255.426 8 ↓
Mid Mid (pH 6-8) 2.31 7.93 -110.64 3 3 2 30 256.434 8 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2-ethoxy-ethanamine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 2.31 6.56 -30.67 2 3 1 26 255.426 8 ↓
Mid Mid (pH 6-8) 2.31 5.95 -36.1 2 3 1 29 255.426 8 ↓
Mid Mid (pH 6-8) 2.31 7.9 -111.21 3 3 2 30 256.434 8 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3,3-dimethyl-butan-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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 10.24 -116.65 3 2 2 21 268.489 7 ↓
Hi High (pH 8-9.5) 3.92 8.89 -30.9 2 2 1 16 267.481 7 ↓
Mid Mid (pH 6-8) 3.92 8.21 -39.22 2 2 1 20 267.481 7 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3,3-dimethyl-butan-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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 10.22 -117.25 3 2 2 21 268.489 7 ↓
Hi High (pH 8-9.5) 3.92 8.87 -30.86 2 2 1 16 267.481 7 ↓
Mid Mid (pH 6-8) 3.92 8.26 -38.89 2 2 1 20 267.481 7 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2-methylsulfonyl-ethanamine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 1.35 4 -42.67 2 4 1 51 289.465 7 ↓
Mid Mid (pH 6-8) 1.35 5.35 -131.91 3 4 2 55 290.473 7 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2-methylsulfonyl-ethanamine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 1.35 3.98 -42.67 2 4 1 51 289.465 7 ↓
Mid Mid (pH 6-8) 1.35 5.33 -132.56 3 4 2 55 290.473 7 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-4-ethoxy-butan-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 9.39 -117.21 3 3 2 30 284.488 10 ↓
Mid Mid (pH 6-8) 2.85 8.05 -32.49 2 3 1 26 283.48 10 ↓
Mid Mid (pH 6-8) 2.85 7.37 -41.16 2 3 1 29 283.48 10 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-4-ethoxy-butan-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 9.37 -117.77 3 3 2 30 284.488 10 ↓
Mid Mid (pH 6-8) 2.85 8.02 -32.41 2 3 1 26 283.48 10 ↓
Mid Mid (pH 6-8) 2.85 7.41 -40.72 2 3 1 29 283.48 10 ↓

Analogs

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Popular Name: 2-butoxy-N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]ethanamine 2-butoxy-N-[2-[(2R)-2-cyclopenty…

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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 8.16 -30.63 2 3 1 26 283.48 10 ↓
Mid Mid (pH 6-8) 3.37 9.51 -111.48 3 3 2 30 284.488 10 ↓
Mid Mid (pH 6-8) 3.37 7.49 -36.64 2 3 1 29 283.48 10 ↓

Analogs

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Popular Name: 2-butoxy-N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]ethanamine 2-butoxy-N-[2-[(2S)-2-cyclopenty…

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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 8.14 -30.61 2 3 1 26 283.48 10 ↓
Mid Mid (pH 6-8) 3.37 9.49 -112.05 3 3 2 30 284.488 10 ↓
Mid Mid (pH 6-8) 3.37 7.53 -36.38 2 3 1 29 283.48 10 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2,2,2-trifluoro-ethanamine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 2.88 6.78 -36.13 2 2 1 16 265.343 6 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2,2,2-trifluoro-ethanamine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 2.88 6.89 -36.03 2 2 1 16 265.343 6 ↓

Analogs

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Popular Name: (2R)-N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-methyl-butan-2-amine (2R)-N-[2-[(2R)-2-cyclopentylpyr…

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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) 3.75 9.53 -112.46 3 2 2 21 254.462 6 ↓
Hi High (pH 8-9.5) 3.75 8.43 -30.9 2 2 1 16 253.454 6 ↓
Mid Mid (pH 6-8) 3.75 7.62 -35.35 2 2 1 20 253.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-methyl-butan-2-amine (2S)-N-[2-[(2R)-2-cyclopentylpyr…

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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) 3.75 9.66 -111.88 3 2 2 21 254.462 6 ↓
Hi High (pH 8-9.5) 3.75 8.45 -30.76 2 2 1 16 253.454 6 ↓
Mid Mid (pH 6-8) 3.75 7.54 -35.84 2 2 1 20 253.454 6 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-ethoxy-propan-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 2.58 8.61 -116.55 3 3 2 30 270.461 9 ↓
Mid Mid (pH 6-8) 2.58 7.26 -32.82 2 3 1 26 269.453 9 ↓
Mid Mid (pH 6-8) 2.58 6.58 -40.39 2 3 1 29 269.453 9 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-ethoxy-propan-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 2.58 8.59 -117.15 3 3 2 30 270.461 9 ↓
Mid Mid (pH 6-8) 2.58 6.63 -40.01 2 3 1 29 269.453 9 ↓
Mid Mid (pH 6-8) 2.58 7.24 -32.74 2 3 1 26 269.453 9 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]prop-2-yn-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.11 6.95 -33.44 2 2 1 16 221.368 5 ↓
Lo Low (pH 4.5-6) 2.11 8.32 -115.5 3 2 2 21 222.376 5 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]prop-2-yn-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.11 6.92 -33.34 2 2 1 16 221.368 5 ↓
Lo Low (pH 4.5-6) 2.11 8.3 -116.09 3 2 2 21 222.376 5 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]pentan-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 10.14 -114.24 3 2 2 21 254.462 8 ↓
Hi High (pH 8-9.5) 3.89 8.79 -30.68 2 2 1 16 253.454 8 ↓
Mid Mid (pH 6-8) 3.89 8.11 -38.4 2 2 1 20 253.454 8 ↓

Analogs

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Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]pentan-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 10.12 -114.84 3 2 2 21 254.462 8 ↓
Hi High (pH 8-9.5) 3.89 8.77 -30.6 2 2 1 16 253.454 8 ↓
Mid Mid (pH 6-8) 3.89 8.15 -38.08 2 2 1 20 253.454 8 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2-methyl-butan-2-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 3.99 9.25 -110.25 3 2 2 21 254.462 6 ↓
Hi High (pH 8-9.5) 3.99 8.05 -30.77 2 2 1 16 253.454 6 ↓
Mid Mid (pH 6-8) 3.99 7.22 -34.59 2 2 1 20 253.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-2-methyl-butan-2-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 3.99 9.23 -110.94 3 2 2 21 254.462 6 ↓
Hi High (pH 8-9.5) 3.99 8.04 -30.71 2 2 1 16 253.454 6 ↓
Mid Mid (pH 6-8) 3.99 7.26 -34.23 2 2 1 20 253.454 6 ↓

Analogs

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Popular Name: N-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-isopropoxy-propan-1-amine N-[2-[(2R)-2-cyclopentylpyrrolid…

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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) 2.94 9.36 -116.67 3 3 2 30 284.488 9 ↓
Mid Mid (pH 6-8) 2.94 8.01 -32.7 2 3 1 26 283.48 9 ↓
Mid Mid (pH 6-8) 2.94 7.33 -40.29 2 3 1 29 283.48 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-3-isopropoxy-propan-1-amine N-[2-[(2S)-2-cyclopentylpyrrolid…

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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) 2.94 9.34 -117.21 3 3 2 30 284.488 9 ↓
Mid Mid (pH 6-8) 2.94 7.37 -39.93 2 3 1 29 283.48 9 ↓
Mid Mid (pH 6-8) 2.94 7.99 -32.59 2 3 1 26 283.48 9 ↓

Analogs

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Popular Name: N'-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[2-[(2R)-2-cyclopentylpyrroli…

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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) 1.98 7.76 -83.22 3 3 2 21 255.45 7 ↓
Hi High (pH 8-9.5) 1.98 5.28 -31.63 2 3 1 20 254.442 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[2-[(2S)-2-cyclopentylpyrroli…

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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) 1.98 7.73 -83.43 3 3 2 21 255.45 7 ↓
Hi High (pH 8-9.5) 1.98 5.26 -31.61 2 3 1 20 254.442 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-N,N-diethyl-ethane-1,2-diamine N'-[2-[(2R)-2-cyclopentylpyrroli…

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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 9.11 -82.54 3 3 2 21 283.504 9 ↓
Hi High (pH 8-9.5) 2.73 6.97 -31.28 2 3 1 20 282.496 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-N,N-diethyl-ethane-1,2-diamine N'-[2-[(2S)-2-cyclopentylpyrroli…

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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 9.06 -82.63 3 3 2 21 283.504 9 ↓
Hi High (pH 8-9.5) 2.73 6.94 -31.21 2 3 1 20 282.496 9 ↓

Analogs

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Popular Name: N'-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]ethyl]-N,N-dimethyl-propane-1,3-diamine N'-[2-[(2R)-2-cyclopentylpyrroli…

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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) 2.25 8.54 -79.14 3 3 2 21 269.477 8 ↓
Mid Mid (pH 6-8) 2.25 7.4 -116.19 3 3 2 24 269.477 8 ↓
Mid Mid (pH 6-8) 2.25 9.89 -195.15 4 3 3 25 270.485 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]ethyl]-N,N-dimethyl-propane-1,3-diamine N'-[2-[(2S)-2-cyclopentylpyrroli…

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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) 2.25 8.52 -79.23 3 3 2 21 269.477 8 ↓
Mid Mid (pH 6-8) 2.25 7.38 -116.81 3 3 2 24 269.477 8 ↓
Mid Mid (pH 6-8) 2.25 9.87 -195.69 4 3 3 25 270.485 8 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine (2S)-2-[(2R)-2-cyclopentylpyrrol…

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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 6.02 -29.23 2 3 1 26 255.426 7 ↓
Mid Mid (pH 6-8) 2.26 5.79 -34.43 2 3 1 29 255.426 7 ↓
Mid Mid (pH 6-8) 2.26 7.44 -110.96 3 3 2 30 256.434 7 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine (2R)-2-[(2R)-2-cyclopentylpyrrol…

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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 5.89 -26.33 2 3 1 26 255.426 7 ↓
Mid Mid (pH 6-8) 2.26 5.27 -34.29 2 3 1 29 255.426 7 ↓
Mid Mid (pH 6-8) 2.26 7.08 -108.89 3 3 2 30 256.434 7 ↓

Parameters Provided:

ring.id = 20527
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 = 20527 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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