In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 23 | Yes |
Popular Name: (2S)-N-(3-imidazol-1-ylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-imidazol-1-ylpropyl)-2…
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) | 0.66 | 2.71 | -44.84 | 3 | 7 | 1 | 90 | 315.353 | 5 | ↓ |
Ref Reference (pH 7) | 0.48 | 5.35 | -46.76 | 3 | 7 | 1 | 87 | 315.353 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 2.19 | -16.08 | 2 | 7 | 0 | 89 | 314.345 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.48 | 4.83 | -17.13 | 2 | 7 | 0 | 85 | 314.345 | 5 | ↓ |