| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 30 | Yes |
Popular Name: N-[4-(3,4-dihydro-1H-pyrazino[4,3-a]benzimidazol-2-yl)phenyl]-3-phenyl-propanamide N-[4-(3,4-dihydro-1H-pyrazino[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 | 11.23 | -16.08 | 1 | 5 | 0 | 50 | 396.494 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.47 | 11.61 | -36.11 | 2 | 5 | 1 | 51 | 397.502 | 5 | ↓ |
Popular Name: N-[[1-[2-(N-ethylanilino)-2-oxo-ethyl]benzimidazol-2-yl]methyl]-3-phenyl-propanamide N-[[1-[2-(N-ethylanilino)-2-oxo-…
| 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) | 4.23 | 13.37 | -19.86 | 1 | 6 | 0 | 67 | 440.547 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.23 | 13.8 | -35.62 | 2 | 6 | 1 | 68 | 441.555 | 9 | ↓ |
Popular Name: N-[[1-[2-(N-methylanilino)-2-oxo-ethyl]benzimidazol-2-yl]methyl]-3-phenyl-propanamide N-[[1-[2-(N-methylanilino)-2-oxo…
| 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) | 3.85 | 12.53 | -20.82 | 1 | 6 | 0 | 67 | 426.52 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 12.98 | -36.2 | 2 | 6 | 1 | 68 | 427.528 | 8 | ↓ |
