UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-cyclohexyl-2-cyclopropyl-benzimidazol-5-amine 1-cyclohexyl-2-cyclopropyl-benzi…

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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 8.49 -21.96 3 3 1 45 256.373 2 ↓
Mid Mid (pH 6-8) 2.91 8.13 -8.71 2 3 0 44 255.365 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2R,3R)-2,3-…

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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 9.32 -21.9 3 3 1 45 284.427 2 ↓
Mid Mid (pH 6-8) 3.39 8.98 -8.7 2 3 0 44 283.419 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2R,3S)-2,3-…

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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 9.06 -22.05 3 3 1 45 284.427 2 ↓
Mid Mid (pH 6-8) 3.39 8.7 -9.88 2 3 0 44 283.419 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2R,3R)-2,3-…

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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 9.61 -21.83 3 3 1 45 284.427 2 ↓
Mid Mid (pH 6-8) 3.39 9.25 -8.37 2 3 0 44 283.419 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2R,3S)-2,3-…

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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 9.81 -21.96 3 3 1 45 284.427 2 ↓
Mid Mid (pH 6-8) 3.39 9.45 -8.33 2 3 0 44 283.419 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2R)-2-methylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2R)-2-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) 3.15 8.59 -21.95 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 3.15 8.23 -10.09 2 3 0 44 269.392 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2S)-2-methylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2S)-2-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) 3.15 9.35 -21.79 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 3.15 8.99 -8.47 2 3 0 44 269.392 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1R,2R)-2-methylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2R)-2-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) 3.15 9.35 -21.79 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 3.15 8.99 -8.55 2 3 0 44 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1R,2S)-2-methylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2S)-2-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) 3.15 8.59 -21.94 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 3.15 8.23 -10.13 2 3 0 44 269.392 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-(4-methylcyclohexyl)benzimidazol-5-amine 2-cyclopropyl-1-(4-methylcyclohe…

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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) 2.68 9.1 -22.13 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 2.68 8.74 -8.45 2 3 0 44 269.392 2 ↓

Analogs

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Popular Name: 4-(5-amino-2-cyclopropyl-benzimidazol-1-yl)cyclohexanol 4-(5-amino-2-cyclopropyl-benzimi…

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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) 1.29 5.15 -24.81 4 4 1 65 272.372 2 ↓
Mid Mid (pH 6-8) 1.29 4.79 -9.97 3 4 0 64 271.364 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,3R)-3-methylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,3R)-3-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) 2.91 9.1 -22.09 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 2.91 8.74 -8.5 2 3 0 44 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1S,3S)-3-methylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,3S)-3-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) 2.91 8.32 -22.17 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 2.91 8.12 -9.57 2 3 0 44 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1R,3R)-3-methylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,3R)-3-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) 2.91 8.32 -22.16 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 2.91 8.04 -9.46 2 3 0 44 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1R,3S)-3-methylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,3S)-3-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) 2.91 9.1 -22.14 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 2.91 8.74 -8.49 2 3 0 44 269.392 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(5-amino-2-cyclopropyl-benzimidazol-1-yl)cyclohexanol (1S,2R)-2-(5-amino-2-cyclopropyl…

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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) 1.76 4.44 -22.26 4 4 1 65 272.372 2 ↓
Mid Mid (pH 6-8) 1.76 4.08 -12.77 3 4 0 64 271.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(5-amino-2-cyclopropyl-benzimidazol-1-yl)cyclohexanol (1S,2S)-2-(5-amino-2-cyclopropyl…

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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) 1.76 5.2 -22.02 4 4 1 65 272.372 2 ↓
Mid Mid (pH 6-8) 1.76 4.84 -10.87 3 4 0 64 271.364 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(5-amino-2-cyclopropyl-benzimidazol-1-yl)cyclohexanol (1R,2R)-2-(5-amino-2-cyclopropyl…

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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) 1.76 5.2 -22.03 4 4 1 65 272.372 2 ↓
Mid Mid (pH 6-8) 1.76 4.84 -10.81 3 4 0 64 271.364 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(5-amino-2-cyclopropyl-benzimidazol-1-yl)cyclohexanol (1R,2S)-2-(5-amino-2-cyclopropyl…

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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) 1.76 5.74 -22.76 4 4 1 65 272.372 2 ↓
Mid Mid (pH 6-8) 1.76 5.38 -10.42 3 4 0 64 271.364 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-(4-ethylcyclohexyl)benzimidazol-5-amine 2-cyclopropyl-1-(4-ethylcyclohex…

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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 8.75 -22.37 3 3 1 45 284.427 3 ↓
Mid Mid (pH 6-8) 3.37 8.82 -9.52 2 3 0 44 283.419 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-(1-methylcyclohexyl)benzimidazol-5-amine 2-cyclopropyl-1-(1-methylcyclohe…

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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) 3.35 8.39 -21.62 3 3 1 45 270.4 2 ↓
Mid Mid (pH 6-8) 3.35 7.9 -9.48 2 3 0 44 269.392 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2R)-2-ethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2R)-2-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) 3.65 9.19 -22.12 3 3 1 45 284.427 3 ↓
Mid Mid (pH 6-8) 3.65 8.83 -9.98 2 3 0 44 283.419 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2S)-2-ethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2S)-2-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) 3.65 10.01 -21.94 3 3 1 45 284.427 3 ↓
Mid Mid (pH 6-8) 3.65 9.65 -8.45 2 3 0 44 283.419 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1R,2R)-2-ethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2R)-2-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) 3.65 10.01 -21.95 3 3 1 45 284.427 3 ↓
Mid Mid (pH 6-8) 3.65 9.65 -8.49 2 3 0 44 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1R,2S)-2-ethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2S)-2-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) 3.65 9.19 -22.07 3 3 1 45 284.427 3 ↓
Mid Mid (pH 6-8) 3.65 8.83 -10 2 3 0 44 283.419 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2R,4R)-2,4-…

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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) 3.15 8.97 -22.06 3 3 1 45 284.427 2 ↓
Mid Mid (pH 6-8) 3.15 8.61 -10.08 2 3 0 44 283.419 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2R,4S)-2,4-…

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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) 3.15 9.41 -22.03 3 3 1 45 284.427 2 ↓
Mid Mid (pH 6-8) 3.15 9.07 -8.65 2 3 0 44 283.419 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2R,4R)-2,4-…

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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) 3.15 9.97 -22 3 3 1 45 284.427 2 ↓
Mid Mid (pH 6-8) 3.15 9.61 -8.28 2 3 0 44 283.419 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2R,4S)-2,4-…

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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) 3.15 9.66 -22.02 3 3 1 45 284.427 2 ↓
Mid Mid (pH 6-8) 3.15 9.3 -8.37 2 3 0 44 283.419 2 ↓

Analogs

52212631
52212631

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Popular Name: 1-cyclohexyl-2-cyclopropyl-benzimidazole-5-carboxylic 1-cyclohexyl-2-cyclopropyl-benzi…

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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) 3.74 10.8 -56.13 0 4 -1 58 283.351 3 ↓
Mid Mid (pH 6-8) 3.74 11.16 -47.55 1 4 0 59 284.359 3 ↓

Parameters Provided:

ring.id = 27294
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 = 27294 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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