UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(5-bromo-2-pyridyl)-N-(cyclopentylmethyl)methanamine 1-(5-bromo-2-pyridyl)-N-(cyclope…

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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) 3.09 6.7 -42.34 2 2 1 29 270.194 4 ↓
Hi High (pH 8-9.5) 3.09 5.35 -3.46 1 2 0 25 269.186 4 ↓

Analogs

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Popular Name: N-[(5-bromo-2-pyridyl)methyl]-1-(1-methylcyclopentyl)methanamine N-[(5-bromo-2-pyridyl)methyl]-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) 3.33 7.28 -41.54 2 2 1 29 284.221 4 ↓
Hi High (pH 8-9.5) 3.33 5.97 -2.2 1 2 0 25 283.213 4 ↓

Analogs

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Popular Name: (1S)-N-[(5-bromo-2-pyridyl)methyl]-1-cyclopentyl-ethanamine (1S)-N-[(5-bromo-2-pyridyl)methy…

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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 7.1 -39.06 2 2 1 29 284.221 4 ↓
Hi High (pH 8-9.5) 3.42 5.9 -2.29 1 2 0 25 283.213 4 ↓

Analogs

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Popular Name: (1R)-N-[(5-bromo-2-pyridyl)methyl]-1-cyclopentyl-ethanamine (1R)-N-[(5-bromo-2-pyridyl)methy…

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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 7.06 -39.64 2 2 1 29 284.221 4 ↓
Hi High (pH 8-9.5) 3.42 5.94 -2.2 1 2 0 25 283.213 4 ↓

Analogs

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Popular Name: N-[(6-methoxy-2-pyridyl)methyl]-1-(1-methylcyclopentyl)methanamine N-[(6-methoxy-2-pyridyl)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) 2.75 5.16 -40.95 2 3 1 39 235.351 5 ↓
Hi High (pH 8-9.5) 2.75 3.86 -3.8 1 3 0 34 234.343 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopentyl-N-[(6-methoxy-2-pyridyl)methyl]ethanamine (1S)-1-cyclopentyl-N-[(6-methoxy…

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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) 2.84 4.99 -38.52 2 3 1 39 235.351 5 ↓
Hi High (pH 8-9.5) 2.84 3.78 -3.86 1 3 0 34 234.343 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopentyl-N-[(6-methoxy-2-pyridyl)methyl]ethanamine (1R)-1-cyclopentyl-N-[(6-methoxy…

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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) 2.84 4.95 -39.05 2 3 1 39 235.351 5 ↓
Hi High (pH 8-9.5) 2.84 3.83 -3.71 1 3 0 34 234.343 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopentyl-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]ethanamine (1S)-1-cyclopentyl-N-[(4-methoxy…

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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) 3.64 7.05 -36.61 2 3 1 39 263.405 5 ↓
Hi High (pH 8-9.5) 3.64 6.11 -3.66 1 3 0 34 262.397 5 ↓
Lo Low (pH 4.5-6) 3.64 6.62 -28.5 2 3 1 35 263.405 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopentyl-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]ethanamine (1R)-1-cyclopentyl-N-[(4-methoxy…

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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) 3.64 7.01 -36.4 2 3 1 39 263.405 5 ↓
Hi High (pH 8-9.5) 3.64 5.79 -3.77 1 3 0 34 262.397 5 ↓
Lo Low (pH 4.5-6) 3.64 6.31 -28.07 2 3 1 35 263.405 5 ↓

Analogs

42857561
42857561
42857565
42857565
42857568
42857568
42857571
42857571

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Popular Name: N-(cyclopentylmethyl)-1-(2-pyridyl)methanamine N-(cyclopentylmethyl)-1-(2-pyrid…

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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 6.1 -37.85 2 2 1 29 191.298 4 ↓

Parameters Provided:

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