In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 25 | Yes |
Popular Name: (2S)-4-[3-(dimethylamino)propyl]-2-ethyl-6-(2-methylthiazol-4-yl)-1,4-benzoxazin-3-one (2S)-4-[3-(dimethylamino)propyl]…
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) | 2.69 | 9.59 | -40.26 | 1 | 5 | 1 | 47 | 360.503 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 7.06 | -9.54 | 0 | 5 | 0 | 46 | 359.495 | 6 | ↓ |