UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(N-cyclopentyl-4-methyl-3-nitro-anilino)acetic 2-(N-cyclopentyl-4-methyl-3-nitr…

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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 9.77 -54.05 0 6 -1 89 277.3 5 ↓

Analogs

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Popular Name: 1-(4-methyl-3-nitro-anilino)cyclopentanecarboxylic 1-(4-methyl-3-nitro-anilino)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) 0.87 7.59 -42.02 1 6 -1 98 263.273 4 ↓
Lo Low (pH 4.5-6) 0.87 5.71 -8.04 2 6 0 95 264.281 4 ↓

Analogs

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Popular Name: N1-cyclopentyl-4-methyl-benzene-1,3-diamine N1-cyclopentyl-4-methyl-benzene-…

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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) 3.72 4.83 -2.9 3 2 0 38 190.29 2 ↓
Lo Low (pH 4.5-6) 3.72 5.08 -32.84 4 2 1 43 191.298 2 ↓

Analogs

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Popular Name: 4-methyl-N-(1-methylcyclopentyl)-3-nitro-aniline 4-methyl-N-(1-methylcyclopentyl)…

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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) 3.98 7.62 -6.08 1 4 0 58 234.299 3 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-methoxycyclopentyl]-4-methyl-3-nitro-aniline N-[(1R,2S)-2-methoxycyclopentyl]…

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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) 3.66 6.95 -7.44 1 5 0 67 250.298 4 ↓

Analogs

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Popular Name: N-[(1S,2S)-2-methoxycyclopentyl]-4-methyl-3-nitro-aniline N-[(1S,2S)-2-methoxycyclopentyl]…

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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) 3.66 6.53 -6.61 1 5 0 67 250.298 4 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-methoxycyclopentyl]-4-methyl-3-nitro-aniline N-[(1R,2R)-2-methoxycyclopentyl]…

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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) 3.66 6.52 -6.79 1 5 0 67 250.298 4 ↓

Analogs

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Popular Name: N-[(1S,2R)-2-methoxycyclopentyl]-4-methyl-3-nitro-aniline N-[(1S,2R)-2-methoxycyclopentyl]…

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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) 3.66 6.87 -7.42 1 5 0 67 250.298 4 ↓

Analogs

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Popular Name: [1-(4-methyl-3-nitro-anilino)cyclopentyl]methanol [1-(4-methyl-3-nitro-anilino)cyc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 4.25 -8.29 2 5 0 78 250.298 4 ↓

Analogs

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Popular Name: N1-cyclopentyl-N1,4-dimethyl-benzene-1,3-diamine N1-cyclopentyl-N1,4-dimethyl-ben…

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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) 3.30 6.21 -3.13 2 2 0 29 204.317 2 ↓
Lo Low (pH 4.5-6) 3.30 6.82 -14.88 3 2 0 30 205.325 2 ↓

Analogs

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Popular Name: N1-cyclopentyl-N1-ethyl-4-methyl-benzene-1,3-diamine N1-cyclopentyl-N1-ethyl-4-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) 3.67 6.93 -2.94 2 2 0 29 218.344 3 ↓
Mid Mid (pH 6-8) 3.67 7.4 -14.53 3 2 0 30 219.352 3 ↓

Analogs

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Popular Name: 2-(N-cyclopentyl-4-methyl-3-nitro-anilino)ethanol 2-(N-cyclopentyl-4-methyl-3-nitr…

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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) 3.14 6.14 -6.81 1 5 0 69 264.325 5 ↓

Analogs

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Popular Name: 4-methyl-N1-(1-methylcyclopentyl)benzene-1,3-diamine 4-methyl-N1-(1-methylcyclopentyl…

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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) 3.50 4.94 -2.98 3 2 0 38 204.317 2 ↓
Lo Low (pH 4.5-6) 3.50 5.28 -31.33 4 2 1 43 205.325 2 ↓

Analogs

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Popular Name: 2-(3-amino-N-cyclopentyl-4-methyl-anilino)acetamide 2-(3-amino-N-cyclopentyl-4-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) 2.03 3.19 -9.86 4 4 0 72 247.342 4 ↓
Lo Low (pH 4.5-6) 2.03 3.57 -22.71 5 4 0 74 248.35 4 ↓

Analogs

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Popular Name: 2-(3-amino-N-cyclopentyl-4-methyl-anilino)ethanol 2-(3-amino-N-cyclopentyl-4-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) 2.67 3.48 -4.5 3 3 0 49 234.343 4 ↓
Lo Low (pH 4.5-6) 2.67 4.32 -17.56 4 3 0 51 235.351 4 ↓

Analogs

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Popular Name: N1-[(1R,2S)-2-methoxycyclopentyl]-4-methyl-benzene-1,3-diamine N1-[(1R,2S)-2-methoxycyclopentyl…

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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 4.26 -3.63 3 3 0 47 220.316 3 ↓

Analogs

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Popular Name: N1-[(1S,2S)-2-methoxycyclopentyl]-4-methyl-benzene-1,3-diamine N1-[(1S,2S)-2-methoxycyclopentyl…

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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 3.84 -4.03 3 3 0 47 220.316 3 ↓

Analogs

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Popular Name: N1-[(1R,2R)-2-methoxycyclopentyl]-4-methyl-benzene-1,3-diamine N1-[(1R,2R)-2-methoxycyclopentyl…

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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 3.83 -4.26 3 3 0 47 220.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-[(1S,2R)-2-methoxycyclopentyl]-4-methyl-benzene-1,3-diamine N1-[(1S,2R)-2-methoxycyclopentyl…

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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 4.18 -3.76 3 3 0 47 220.316 3 ↓

Analogs

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Popular Name: [1-(3-amino-4-methyl-anilino)cyclopentyl]methanol [1-(3-amino-4-methyl-anilino)cyc…

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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) 2.49 1.68 -4.56 4 3 0 58 220.316 3 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-N-ethyl-3-methyl-aniline N-[(1R,2R)-2-(aminomethyl)cyclop…

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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) 2.91 7.05 -41.61 3 2 1 31 233.379 4 ↓

Analogs

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Popular Name: N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-N-ethyl-3-methyl-aniline N-[(1S,2R)-2-(aminomethyl)cyclop…

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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) 2.91 6.85 -45.54 3 2 1 31 233.379 4 ↓

Analogs

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Popular Name: N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methyl-aniline N-[1-(aminomethyl)cyclopentyl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.84 -41.91 3 2 1 31 233.379 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(N-ethyl-3-methyl-anilino)cyclopentanecarbonitrile (1S,2R)-2-(N-ethyl-3-methyl-anil…

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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 9.29 -7.54 0 2 0 27 228.339 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(N-ethyl-3-methyl-anilino)cyclopentanecarbonitrile (1S,2S)-2-(N-ethyl-3-methyl-anil…

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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 9.17 -6.83 0 2 0 27 228.339 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(N-ethyl-3-methyl-anilino)cyclopentanol (1S,2R)-2-(N-ethyl-3-methyl-anil…

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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 6.26 -3.82 1 2 0 23 219.328 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(N-ethyl-3-methyl-anilino)cyclopentanol (1S,2S)-2-(N-ethyl-3-methyl-anil…

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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 5.59 -4.42 1 2 0 23 219.328 3 ↓

Analogs

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Popular Name: (1S)-1-[2-[cyclopentyl(methyl)amino]-6-fluoro-phenyl]ethanol (1S)-1-[2-[cyclopentyl(methyl)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) 3.07 6.59 -4.69 1 2 0 23 237.318 3 ↓

Analogs

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Popular Name: (1R)-1-[2-[cyclopentyl(methyl)amino]-6-fluoro-phenyl]ethanol (1R)-1-[2-[cyclopentyl(methyl)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) 3.07 6.55 -4.8 1 2 0 23 237.318 3 ↓

Analogs

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Popular Name: (1S)-1-[4-[cyclopentyl(methyl)amino]phenyl]ethanol (1S)-1-[4-[cyclopentyl(methyl)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) 3.00 5.78 -4.21 1 2 0 23 219.328 3 ↓

Analogs

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Popular Name: (1R)-1-[4-[cyclopentyl(methyl)amino]phenyl]ethanol (1R)-1-[4-[cyclopentyl(methyl)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) 3.00 5.73 -4.15 1 2 0 23 219.328 3 ↓

Analogs

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Popular Name: (1S)-1-[2-[cyclopentyl(methyl)amino]-5-fluoro-phenyl]ethanol (1S)-1-[2-[cyclopentyl(methyl)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) 3.10 6.24 -2.7 1 2 0 23 237.318 3 ↓

Analogs

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Popular Name: (1R)-1-[2-[cyclopentyl(methyl)amino]-5-fluoro-phenyl]ethanol (1R)-1-[2-[cyclopentyl(methyl)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) 3.10 6.3 -2.75 1 2 0 23 237.318 3 ↓

Analogs

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Popular Name: (1S)-1-[4-[cyclopentyl(methyl)amino]-3-fluoro-phenyl]ethanol (1S)-1-[4-[cyclopentyl(methyl)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) 3.10 6.3 -4.08 1 2 0 23 237.318 3 ↓

Analogs

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Popular Name: (1R)-1-[4-[cyclopentyl(methyl)amino]-3-fluoro-phenyl]ethanol (1R)-1-[4-[cyclopentyl(methyl)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) 3.10 6.21 -4.22 1 2 0 23 237.318 3 ↓

Analogs

35772939
35772939
35772942
35772942

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Popular Name: (1S)-1-[4-[cyclopentyl(methyl)amino]-3-nitro-phenyl]ethanol (1S)-1-[4-[cyclopentyl(methyl)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) 2.89 7.11 -6.45 1 5 0 69 264.325 4 ↓

Analogs

35772939
35772939
35772942
35772942

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Popular Name: (1R)-1-[4-[cyclopentyl(methyl)amino]-3-nitro-phenyl]ethanol (1R)-1-[4-[cyclopentyl(methyl)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) 2.89 7.09 -6.6 1 5 0 69 264.325 4 ↓

Analogs

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Popular Name: 3-(cyclopentylamino)-N,N-diethyl-benzamide 3-(cyclopentylamino)-N,N-diethyl…

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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 7.9 -9.14 1 3 0 32 260.381 5 ↓

Analogs

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Popular Name: 3-(cyclopentylamino)-N-methyl-benzamide 3-(cyclopentylamino)-N-methyl-be…

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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 4.41 -10.2 2 3 0 41 218.3 3 ↓

Analogs

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Popular Name: 3-(cyclopentylamino)benzamide 3-(cyclopentylamino)benzamide

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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 2.88 -10.31 3 3 0 55 204.273 3 ↓

Analogs

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Popular Name: 2-[4-(cyclopentylamino)phenoxy]acetonitrile 2-[4-(cyclopentylamino)phenoxy]a…

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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 6.18 -8.54 1 3 0 45 216.284 4 ↓

Analogs

37787770
37787770

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Popular Name: 5-(cyclopentylamino)-2-methyl-benzenesulfonamide 5-(cyclopentylamino)-2-methyl-be…

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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) 2.93 1.92 -11.7 3 4 0 72 254.355 3 ↓

Analogs

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Popular Name: N1-cyclopentyl-4-nitro-benzene-1,2-diamine N1-cyclopentyl-4-nitro-benzene-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) 3.23 5.05 -7.37 3 5 0 84 221.26 3 ↓

Analogs

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Popular Name: N1-cyclopentyl-N1-methyl-4-nitro-benzene-1,2-diamine N1-cyclopentyl-N1-methyl-4-nitro…

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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 7.07 -4.63 2 5 0 75 235.287 3 ↓

Analogs

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Popular Name: N1-cyclopentyl-N1-ethyl-4-nitro-benzene-1,2-diamine N1-cyclopentyl-N1-ethyl-4-nitro-…

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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 7.76 -4.67 2 5 0 75 249.314 4 ↓

Analogs

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Popular Name: N1-(1-methylcyclopentyl)-4-nitro-benzene-1,2-diamine N1-(1-methylcyclopentyl)-4-nitro…

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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) 3.01 5.15 -7.28 3 5 0 84 235.287 3 ↓

Analogs

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Popular Name: 2-(2-amino-N-cyclopentyl-4-nitro-anilino)acetamide 2-(2-amino-N-cyclopentyl-4-nitro…

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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) 1.54 4.12 -11.02 4 7 0 118 278.312 5 ↓

Analogs

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Popular Name: 2-(2-amino-N-cyclopentyl-4-nitro-anilino)ethanol 2-(2-amino-N-cyclopentyl-4-nitro…

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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) 2.18 4.68 -6.52 3 6 0 95 265.313 5 ↓

Analogs

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Popular Name: N1-[(1S,2R)-2-methoxycyclopentyl]-4-nitro-benzene-1,2-diamine N1-[(1S,2R)-2-methoxycyclopentyl…

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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 4.49 -7.38 3 6 0 93 251.286 4 ↓

Analogs

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Popular Name: N1-[(1S,2S)-2-methoxycyclopentyl]-4-nitro-benzene-1,2-diamine N1-[(1S,2S)-2-methoxycyclopentyl…

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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 4.05 -8.16 3 6 0 93 251.286 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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