In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 26th, 2008 | 32 | No |
Popular Name: N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dinitro-benzamide N-[(2S)-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) | 2.34 | 9.73 | -46.11 | 2 | 12 | 1 | 155 | 444.424 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 7.27 | -15.75 | 1 | 12 | 0 | 154 | 443.416 | 7 | ↓ |