| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 3rd, 2011 | 22 | Yes |
Popular Name: (1S)-1-(2,4-difluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine (1S)-1-(2,4-difluorophenyl)-N-[(…
| 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 | 8.31 | -8.29 | 1 | 3 | 0 | 30 | 301.34 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 8.74 | -30.85 | 2 | 3 | 1 | 31 | 302.348 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 9.45 | -50.56 | 2 | 3 | 1 | 34 | 302.348 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 9.88 | -120.64 | 3 | 3 | 2 | 36 | 303.356 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
