In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 21 | Yes |
Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-propylpiperazin-1-yl)methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…
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) | 1.77 | 4.49 | -13.61 | 1 | 5 | 0 | 45 | 289.379 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 6.81 | -54.09 | 2 | 5 | 1 | 46 | 290.387 | 3 | ↓ |