In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 26th, 2008 | 29 | No |
Popular Name: N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-nitro-benzamide N-[(2R)-4-(2-dimethylaminoethyl)…
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) | 2.45 | 9.15 | -44.34 | 2 | 9 | 1 | 109 | 399.427 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 6.67 | -15.87 | 1 | 9 | 0 | 108 | 398.419 | 6 | ↓ |