UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6461187
6461187

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Popular Name: [2-(cyclopentylcarbamoyl)phenyl]carbamoylmethyl [2-(cyclopentylcarbamoyl)phenyl]…

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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) 2.65 0.11 -12.54 2 6 0 84 332.4 8 ↓

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) 2.42 8.19 -15.99 2 6 0 85 364.467 9 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methyl-benzamide N-(3-aminopropyl)-N-cyclopentyl-…

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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) 2.36 6.43 -59.87 3 4 1 57 291.415 6 ↓

Analogs

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Popular Name: N-(1-carbamothioylcyclopentyl)-2-methoxy-5-methyl-benzamide N-(1-carbamothioylcyclopentyl)-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) 2.50 5.48 -17.62 3 4 0 64 292.404 4 ↓

Analogs

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Popular Name: N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-2-methoxy-5-methyl-benzamide N-[1-[(Z)-N'-hydroxycarbamimidoy…

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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) 2.60 3.02 -16.38 4 6 0 97 291.351 4 ↓

Analogs

36791419
36791419
36791421
36791421
37092933
37092933

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Popular Name: 4-carbamothioyl-N-cyclopentyl-benzamide 4-carbamothioyl-N-cyclopentyl-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) 2.33 4.99 -23.98 3 3 0 55 248.351 3 ↓

Analogs

37083771
37083771

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Popular Name: N-cyclopentyl-4-dimethylamino-N-methyl-benzamide N-cyclopentyl-4-dimethylamino-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) 2.41 7.52 -9.67 0 3 0 24 246.354 3 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-cyclopentyl-benzamide 3-(2-aminoethyl)-N-cyclopentyl-b…

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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) 1.49 4.59 -48.95 4 3 1 57 233.335 4 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-cyclopentyl-N-methyl-benzamide 3-(2-aminoethyl)-N-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) 1.26 5.96 -49.15 3 3 1 48 247.362 4 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-cyclopentyl-N-ethyl-benzamide 3-(2-aminoethyl)-N-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) 1.64 6.83 -47.64 3 3 1 48 261.389 5 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-benzamide 3-(2-aminoethyl)-N-(2-amino-2-ox…

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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) 0.00 3.15 -59.17 5 5 1 91 290.387 6 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)benzamide 3-(2-aminoethyl)-N-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) 0.63 3.54 -51.04 4 4 1 68 277.388 6 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[(1S,2R)-2-methoxycyclopentyl]benzamide 3-(2-aminoethyl)-N-[(1S,2R)-2-me…

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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) 0.96 4.04 -48.5 4 4 1 66 263.361 5 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[(1S,2S)-2-methoxycyclopentyl]benzamide 3-(2-aminoethyl)-N-[(1S,2S)-2-me…

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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) 0.96 3.6 -50.75 4 4 1 66 263.361 5 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[(1R,2R)-2-methoxycyclopentyl]benzamide 3-(2-aminoethyl)-N-[(1R,2R)-2-me…

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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) 0.96 3.6 -50.65 4 4 1 66 263.361 5 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[(1R,2S)-2-methoxycyclopentyl]benzamide 3-(2-aminoethyl)-N-[(1R,2S)-2-me…

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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) 0.96 4 -48.62 4 4 1 66 263.361 5 ↓

Analogs

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Popular Name: 3-amino-N-cyclopentyl-4-nitro-benzamide 3-amino-N-cyclopentyl-4-nitro-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) 1.90 4.57 -9.34 3 6 0 101 249.27 3 ↓

Analogs

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Popular Name: N-cyclopentyl-3-(methylamino)-4-nitro-benzamide N-cyclopentyl-3-(methylamino)-4-…

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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) 2.27 5.51 -9.38 2 6 0 87 263.297 4 ↓

Analogs

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Popular Name: N-cyclopentyl-3-(ethylamino)-4-nitro-benzamide N-cyclopentyl-3-(ethylamino)-4-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) 2.65 6.32 -9.13 2 6 0 87 277.324 5 ↓

Analogs

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Popular Name: N-cyclopentyl-4-nitro-3-(propylamino)benzamide N-cyclopentyl-4-nitro-3-(propyla…

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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) 3.15 7.08 -8.91 2 6 0 87 291.351 6 ↓

Analogs

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Popular Name: 3-amino-N-cyclopentyl-N-methyl-4-nitro-benzamide 3-amino-N-cyclopentyl-N-methyl-4…

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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) 1.67 5.9 -9.27 2 6 0 92 263.297 3 ↓

Analogs

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Popular Name: N-cyclopentyl-N-methyl-3-(methylamino)-4-nitro-benzamide N-cyclopentyl-N-methyl-3-(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) 2.05 6.82 -9.43 1 6 0 78 277.324 4 ↓

Analogs

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Popular Name: N-cyclopentyl-3-(ethylamino)-N-methyl-4-nitro-benzamide N-cyclopentyl-3-(ethylamino)-N-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) 2.42 7.64 -9.17 1 6 0 78 291.351 5 ↓

Analogs

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Popular Name: 3-amino-N-cyclopentyl-N-ethyl-4-nitro-benzamide 3-amino-N-cyclopentyl-N-ethyl-4-…

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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) 2.05 6.79 -8.37 2 6 0 92 277.324 4 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-3-(methylamino)-4-nitro-benzamide N-cyclopentyl-N-ethyl-3-(methyla…

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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) 2.42 7.75 -8.44 1 6 0 78 291.351 5 ↓

Analogs

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Popular Name: 3-amino-N-[(1S,2R)-2-methoxycyclopentyl]-4-nitro-benzamide 3-amino-N-[(1S,2R)-2-methoxycycl…

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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) 1.37 4.03 -7.98 3 7 0 110 279.296 4 ↓

Analogs

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Popular Name: 3-amino-N-[(1S,2S)-2-methoxycyclopentyl]-4-nitro-benzamide 3-amino-N-[(1S,2S)-2-methoxycycl…

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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) 1.37 3.58 -11.05 3 7 0 110 279.296 4 ↓

Analogs

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Popular Name: 3-amino-N-[(1R,2R)-2-methoxycyclopentyl]-4-nitro-benzamide 3-amino-N-[(1R,2R)-2-methoxycycl…

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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) 1.37 3.57 -11.03 3 7 0 110 279.296 4 ↓

Analogs

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Popular Name: 3-amino-N-[(1R,2S)-2-methoxycyclopentyl]-4-nitro-benzamide 3-amino-N-[(1R,2S)-2-methoxycycl…

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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) 1.37 3.97 -8.33 3 7 0 110 279.296 4 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-methoxycyclopentyl]-3-(methylamino)-4-nitro-benzamide 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) 1.74 4.98 -8.05 2 7 0 96 293.323 5 ↓

Analogs

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Popular Name: N-[(1S,2S)-2-methoxycyclopentyl]-3-(methylamino)-4-nitro-benzamide 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) 1.74 4.53 -11.06 2 7 0 96 293.323 5 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-methoxycyclopentyl]-3-(methylamino)-4-nitro-benzamide 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) 1.74 4.53 -11.1 2 7 0 96 293.323 5 ↓

Analogs

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Popular Name: N-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)-4-nitro-benzamide 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) 1.74 4.94 -8.42 2 7 0 96 293.323 5 ↓

Analogs

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Popular Name: 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-4-nitro-benzamide 3-amino-N-cyclopentyl-N-(2-hydro…

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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) 1.04 3.54 -9.38 3 7 0 112 293.323 5 ↓

Analogs

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Popular Name: 1-[(3-fluoro-4-nitro-benzoyl)amino]cyclopentanecarboxylic 1-[(3-fluoro-4-nitro-benzoyl)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) -0.08 7.58 -52.63 1 7 -1 115 295.246 4 ↓

Analogs

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Popular Name: 3-hydrazino-N-[(1S,2R)-2-methoxycyclopentyl]-4-nitro-benzamide 3-hydrazino-N-[(1S,2R)-2-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) 1.13 3.73 -8.69 4 8 0 122 294.311 5 ↓

Analogs

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Popular Name: 3-hydrazino-N-[(1S,2S)-2-methoxycyclopentyl]-4-nitro-benzamide 3-hydrazino-N-[(1S,2S)-2-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) 1.13 3.29 -11.84 4 8 0 122 294.311 5 ↓

Analogs

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Popular Name: 3-hydrazino-N-[(1R,2R)-2-methoxycyclopentyl]-4-nitro-benzamide 3-hydrazino-N-[(1R,2R)-2-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) 1.13 3.29 -11.78 4 8 0 122 294.311 5 ↓

Analogs

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Popular Name: 3-hydrazino-N-[(1R,2S)-2-methoxycyclopentyl]-4-nitro-benzamide 3-hydrazino-N-[(1R,2S)-2-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) 1.13 3.69 -8.98 4 8 0 122 294.311 5 ↓

Analogs

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Popular Name: N-cyclopentyl-3-hydrazino-4-nitro-benzamide N-cyclopentyl-3-hydrazino-4-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) 1.66 4.29 -10.1 4 7 0 113 264.285 4 ↓

Analogs

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Popular Name: N-cyclopentyl-3-fluoro-4-nitro-benzamide N-cyclopentyl-3-fluoro-4-nitro-b…

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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 6.52 -9.23 1 5 0 75 252.245 3 ↓

Analogs

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Popular Name: N-cyclopentyl-3-hydrazino-N-methyl-4-nitro-benzamide N-cyclopentyl-3-hydrazino-N-meth…

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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) 1.43 5.65 -9.77 3 7 0 104 278.312 4 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-3-hydrazino-4-nitro-benzamide N-cyclopentyl-N-ethyl-3-hydrazin…

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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) 1.81 6.52 -9.15 3 7 0 104 292.339 5 ↓

Analogs

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Popular Name: N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)-4-nitro-benzamide N-cyclopentyl-3-fluoro-N-(2-hydr…

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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) 1.72 5.46 -11.76 1 6 0 86 296.298 5 ↓

Analogs

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Popular Name: 3-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-4-nitro-benzamide 3-fluoro-N-[1-(hydroxymethyl)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) 2.02 3.64 -9.29 2 6 0 95 282.271 4 ↓

Analogs

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Popular Name: N-cyclopentyl-N-ethyl-3-fluoro-4-nitro-benzamide N-cyclopentyl-N-ethyl-3-fluoro-4…

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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 8.76 -10.64 0 5 0 66 280.299 4 ↓

Analogs

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Popular Name: N-allyl-N-cyclopentyl-3-fluoro-4-nitro-benzamide N-allyl-N-cyclopentyl-3-fluoro-4…

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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 9.36 -9.27 0 5 0 66 292.31 5 ↓

Analogs

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Popular Name: 3-fluoro-N-(1-methylcyclopentyl)-4-nitro-benzamide 3-fluoro-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) 3.03 6.91 -12.17 1 5 0 75 266.272 3 ↓

Analogs

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Popular Name: 3-fluoro-N-[(1S,2R)-2-methoxycyclopentyl]-4-nitro-benzamide 3-fluoro-N-[(1S,2R)-2-methoxycyc…

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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) 2.05 5.97 -10.25 1 6 0 84 282.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S,2S)-2-methoxycyclopentyl]-4-nitro-benzamide 3-fluoro-N-[(1S,2S)-2-methoxycyc…

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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) 2.05 5.53 -14.22 1 6 0 84 282.271 4 ↓

Parameters Provided:

ring.id = 2950
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 = 2950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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