In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 30 | Yes |
Popular Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]oxazol-4-yl]-morpholino-methanone [2-[[4-(1,3-benzodioxol-5-ylmeth…
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) | 0.97 | 3.6 | -52.23 | 1 | 9 | 1 | 82 | 415.47 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 3.62 | -52.95 | 1 | 9 | 1 | 82 | 415.47 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 1.35 | -11.9 | 0 | 9 | 0 | 81 | 414.462 | 5 | ↓ |