In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 24 | Yes |
Popular Name: (2S)-N-(3-tert-butylisoxazol-5-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-tert-butylisoxazol-5-y…
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) | 2.78 | 5.59 | -19.69 | 2 | 7 | 0 | 93 | 329.356 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 2.34 | -61.14 | 1 | 7 | -1 | 100 | 328.348 | 3 | ↓ |