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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: (1R,2S)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]indan-2-ol (1R,2S)-1-[[3-chloro-5-(trifluor…

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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 6.31 -5.35 2 3 0 45 328.721 3 ↓

Analogs

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Popular Name: N-[(1S)-5-fluoroindan-1-yl]-5-nitro-pyridin-2-amine N-[(1S)-5-fluoroindan-1-yl]-5-ni…

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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 8 -9.15 1 5 0 71 273.267 3 ↓

Analogs

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Popular Name: N-[(1R)-5-fluoroindan-1-yl]-5-nitro-pyridin-2-amine N-[(1R)-5-fluoroindan-1-yl]-5-ni…

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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 7.92 -8.69 1 5 0 71 273.267 3 ↓

Analogs

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Popular Name: N-[(1R)-5-fluoroindan-1-yl]-3-nitro-pyridin-2-amine N-[(1R)-5-fluoroindan-1-yl]-3-ni…

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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 8.78 -9.48 1 5 0 71 273.267 3 ↓

Analogs

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Popular Name: N-[(1S)-5-fluoroindan-1-yl]-3-nitro-pyridin-2-amine N-[(1S)-5-fluoroindan-1-yl]-3-ni…

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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 8.68 -9.48 1 5 0 71 273.267 3 ↓

Analogs

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Popular Name: N-[(1S)-4-fluoroindan-1-yl]-3-nitro-pyridin-2-amine N-[(1S)-4-fluoroindan-1-yl]-3-ni…

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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) 2.77 8.77 -10.11 1 5 0 71 273.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-fluoroindan-1-yl]-3-nitro-pyridin-2-amine N-[(1R)-4-fluoroindan-1-yl]-3-ni…

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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) 2.77 8.63 -9.34 1 5 0 71 273.267 3 ↓

Analogs

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Popular Name: N-[(1S)-4-chloroindan-1-yl]-3-nitro-pyridin-2-amine N-[(1S)-4-chloroindan-1-yl]-3-ni…

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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) 3.28 9.19 -9.36 1 5 0 71 289.722 3 ↓

Analogs

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Popular Name: N-[(1R)-4-chloroindan-1-yl]-3-nitro-pyridin-2-amine N-[(1R)-4-chloroindan-1-yl]-3-ni…

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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) 3.28 9.06 -8.82 1 5 0 71 289.722 3 ↓

Analogs

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Popular Name: N-[(1R)-5-chloroindan-1-yl]-6-fluoro-pyridin-2-amine N-[(1R)-5-chloroindan-1-yl]-6-fl…

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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) 3.90 7.72 -7.38 1 2 0 25 262.715 2 ↓
Lo Low (pH 4.5-6) 3.90 8.2 -32.54 2 2 1 26 263.723 2 ↓

Analogs

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Popular Name: N-[(1S)-5-chloroindan-1-yl]-6-fluoro-pyridin-2-amine N-[(1S)-5-chloroindan-1-yl]-6-fl…

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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) 3.90 7.68 -6.87 1 2 0 25 262.715 2 ↓
Lo Low (pH 4.5-6) 3.90 8.16 -31.99 2 2 1 26 263.723 2 ↓

Analogs

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Popular Name: N-[(1R)-5-chloroindan-1-yl]-3-nitro-pyridin-2-amine N-[(1R)-5-chloroindan-1-yl]-3-ni…

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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 9.22 -8.99 1 5 0 71 289.722 3 ↓

Analogs

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Popular Name: N-[(1S)-5-chloroindan-1-yl]-3-nitro-pyridin-2-amine N-[(1S)-5-chloroindan-1-yl]-3-ni…

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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 9.12 -8.96 1 5 0 71 289.722 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(5-nitro-2-pyridyl)amino]indan-2-ol (1R,2S)-1-[(5-nitro-2-pyridyl)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) 1.95 4.88 -8.62 2 6 0 91 271.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-fluoroindan-1-yl]-5-nitro-pyridin-2-amine N-[(1S)-4-fluoroindan-1-yl]-5-ni…

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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) 2.99 8 -9.1 1 5 0 71 273.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-fluoroindan-1-yl]-5-nitro-pyridin-2-amine N-[(1R)-4-fluoroindan-1-yl]-5-ni…

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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) 2.99 7.92 -8.17 1 5 0 71 273.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-chloroindan-1-yl]-5-nitro-pyridin-2-amine N-[(1S)-4-chloroindan-1-yl]-5-ni…

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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 8.42 -8.27 1 5 0 71 289.722 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-chloroindan-1-yl]-5-nitro-pyridin-2-amine N-[(1R)-4-chloroindan-1-yl]-5-ni…

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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 8.35 -7.55 1 5 0 71 289.722 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-5-chloroindan-1-yl]-5-nitro-pyridin-2-amine N-[(1S)-5-chloroindan-1-yl]-5-ni…

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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 8.45 -8.45 1 5 0 71 289.722 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-5-chloroindan-1-yl]-5-nitro-pyridin-2-amine N-[(1R)-5-chloroindan-1-yl]-5-ni…

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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 8.37 -8.01 1 5 0 71 289.722 3 ↓

Analogs

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Popular Name: 6-[[(1S)-5-chloroindan-1-yl]amino]pyridine-3-carbonitrile 6-[[(1S)-5-chloroindan-1-yl]amin…

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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 8.13 -7.95 1 3 0 49 269.735 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-5-chloroindan-1-yl]amino]pyridine-3-carbonitrile 6-[[(1R)-5-chloroindan-1-yl]amin…

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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 8.06 -7.47 1 3 0 49 269.735 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-5-chloroindan-1-yl]amino]pyridine-3-carbonitrile 2-[[(1R)-5-chloroindan-1-yl]amin…

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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 8.74 -6.84 1 3 0 49 269.735 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-5-chloroindan-1-yl]amino]pyridine-3-carbonitrile 2-[[(1S)-5-chloroindan-1-yl]amin…

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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 8.67 -6.9 1 3 0 49 269.735 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-chloroindan-1-yl]-6-fluoro-pyridin-2-amine N-[(1S)-4-chloroindan-1-yl]-6-fl…

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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) 3.88 7.67 -7.58 1 2 0 25 262.715 2 ↓
Lo Low (pH 4.5-6) 3.88 8.16 -32.63 2 2 1 26 263.723 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-chloroindan-1-yl]-6-fluoro-pyridin-2-amine N-[(1R)-4-chloroindan-1-yl]-6-fl…

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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) 3.88 7.6 -6.53 1 2 0 25 262.715 2 ↓
Lo Low (pH 4.5-6) 3.88 8.08 -32.15 2 2 1 26 263.723 2 ↓

Analogs

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Popular Name: 6-[[(1S)-4-chloroindan-1-yl]amino]pyridine-3-carbonitrile 6-[[(1S)-4-chloroindan-1-yl]amin…

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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) 3.13 8.11 -7.88 1 3 0 49 269.735 2 ↓

Analogs

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Popular Name: 6-[[(1R)-4-chloroindan-1-yl]amino]pyridine-3-carbonitrile 6-[[(1R)-4-chloroindan-1-yl]amin…

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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) 3.13 8.03 -7.19 1 3 0 49 269.735 2 ↓

Analogs

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Popular Name: 2-[[(1S)-4-chloroindan-1-yl]amino]pyridine-3-carbonitrile 2-[[(1S)-4-chloroindan-1-yl]amin…

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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 8.72 -7.1 1 3 0 49 269.735 2 ↓

Analogs

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Popular Name: 2-[[(1R)-4-chloroindan-1-yl]amino]pyridine-3-carbonitrile 2-[[(1R)-4-chloroindan-1-yl]amin…

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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 8.59 -6.82 1 3 0 49 269.735 2 ↓

Analogs

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Popular Name: 6-[[(1S)-4-fluoroindan-1-yl]amino]pyridine-3-carbonitrile 6-[[(1S)-4-fluoroindan-1-yl]amin…

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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 7.68 -8.74 1 3 0 49 253.28 2 ↓

Analogs

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Popular Name: 6-[[(1R)-4-fluoroindan-1-yl]amino]pyridine-3-carbonitrile 6-[[(1R)-4-fluoroindan-1-yl]amin…

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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 7.6 -7.84 1 3 0 49 253.28 2 ↓

Analogs

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Popular Name: 2-[[(1S)-4-fluoroindan-1-yl]amino]pyridine-3-carbonitrile 2-[[(1S)-4-fluoroindan-1-yl]amin…

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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 8.29 -7.89 1 3 0 49 253.28 2 ↓

Analogs

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Popular Name: 2-[[(1R)-4-fluoroindan-1-yl]amino]pyridine-3-carbonitrile 2-[[(1R)-4-fluoroindan-1-yl]amin…

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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 8.17 -7.51 1 3 0 49 253.28 2 ↓

Analogs

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Popular Name: 6-[[(1S)-5-fluoroindan-1-yl]amino]pyridine-3-carbonitrile 6-[[(1S)-5-fluoroindan-1-yl]amin…

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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) 2.64 7.68 -8.7 1 3 0 49 253.28 2 ↓

Analogs

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Popular Name: 6-[[(1R)-5-fluoroindan-1-yl]amino]pyridine-3-carbonitrile 6-[[(1R)-5-fluoroindan-1-yl]amin…

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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) 2.64 7.6 -8.19 1 3 0 49 253.28 2 ↓

Analogs

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Popular Name: 2-[[(1R)-5-fluoroindan-1-yl]amino]pyridine-3-carbonitrile 2-[[(1R)-5-fluoroindan-1-yl]amin…

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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 8.3 -7.41 1 3 0 49 253.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-5-fluoroindan-1-yl]amino]pyridine-3-carbonitrile 2-[[(1S)-5-fluoroindan-1-yl]amin…

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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 8.23 -7.44 1 3 0 49 253.28 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 92416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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