In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 22 | Yes |
Popular Name: (2S)-2-methyl-3-oxo-N-(3-pyridylmethyl)-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-(3-pyridyl…
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) | 0.87 | 0.06 | -12.08 | 2 | 6 | 0 | 84 | 297.314 | 3 | ↓ |
Ref Reference (pH 7) | 0.69 | 2.7 | -12.8 | 2 | 6 | 0 | 80 | 297.314 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.06 | -1.87 | -47.18 | 1 | 6 | -1 | 90 | 296.306 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.87 | 0.53 | -45.96 | 3 | 6 | 1 | 85 | 298.322 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.69 | 3.17 | -48.21 | 3 | 6 | 1 | 82 | 298.322 | 3 | ↓ |