| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 23 | Yes |
Popular Name: (3S)-4-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-3-isopropyl-piperazin-2-one (3S)-4-[[1-(difluoromethyl)benzi…
| 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) | 2.04 | 4.55 | -10.13 | 1 | 5 | 0 | 50 | 322.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 6.42 | -40.53 | 2 | 5 | 1 | 51 | 323.367 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 4.58 | -36.14 | 2 | 5 | 1 | 51 | 323.367 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 6.61 | -113.83 | 3 | 5 | 2 | 53 | 324.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
