In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 21 | Yes |
Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-isopropylpiperazin-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) | 1.57 | 4.23 | -11.95 | 1 | 5 | 0 | 45 | 289.379 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 6.6 | -48.7 | 2 | 5 | 1 | 46 | 290.387 | 2 | ↓ |