| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2010 | 34 | Yes |
Popular Name: 1-[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone 1-[4-[(1-benzylbenzimidazol-2-yl…
| 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) | 4.32 | 13.42 | -21.1 | 0 | 6 | 0 | 51 | 454.574 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 13.84 | -42.88 | 1 | 6 | 1 | 52 | 455.582 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.32 | 15.63 | -65.41 | 1 | 6 | 1 | 52 | 455.582 | 7 | ↓ |
Popular Name: N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-2-(2,5-dimethylphenoxy)acetamide N-[[1-[(3-bromophenyl)methyl]ben…
| 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) | 5.37 | 13.24 | -14.76 | 1 | 5 | 0 | 56 | 478.39 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.37 | 14.54 | -38.42 | 2 | 5 | 1 | 57 | 479.398 | 7 | ↓ |
Popular Name: N-[[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]methyl]-2-(2,5-dimethylphenoxy)acetamide N-[[1-[(4-bromophenyl)methyl]ben…
| 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) | 5.39 | 13.25 | -15.63 | 1 | 5 | 0 | 56 | 478.39 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.39 | 14.55 | -38.62 | 2 | 5 | 1 | 57 | 479.398 | 7 | ↓ |
