| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2010 | 29 | Yes |
Popular Name: 2-[(1R)-1-(azepan-1-yl)ethyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole 2-[(1R)-1-(azepan-1-yl)ethyl]-1-…
| 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) | 6.55 | 14.38 | -37.21 | 1 | 3 | 1 | 22 | 390.595 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.55 | 13.55 | -7.65 | 0 | 3 | 0 | 21 | 389.587 | 4 | ↓ |
Popular Name: 2-[1-(1-piperidyl)ethyl]-1-(p-tolylmethyl)benzoimidazole 2-[1-(1-piperidyl)ethyl]-1-(p-to…
| 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) | 4.92 | 13.16 | -37.7 | 1 | 3 | 1 | 22 | 334.487 | 4 | ↓ |
Popular Name: 2-[1-(1-piperidyl)ethyl]-1-(p-tolylmethyl)benzoimidazole 2-[1-(1-piperidyl)ethyl]-1-(p-to…
| 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) | 4.92 | 13.22 | -36.01 | 1 | 3 | 1 | 22 | 334.487 | 4 | ↓ |
| 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) | 4.47 | 12.44 | -37.75 | 1 | 3 | 1 | 22 | 320.46 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.47 | 10.24 | -8.99 | 0 | 3 | 0 | 21 | 319.452 | 4 | ↓ |
| 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) | 4.47 | 12.4 | -36.09 | 1 | 3 | 1 | 22 | 320.46 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.47 | 10.26 | -8.96 | 0 | 3 | 0 | 21 | 319.452 | 4 | ↓ |
