In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 28 | Yes |
Popular Name: 3-(4-chlorophenyl)-1-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]urea 3-(4-chlorophenyl)-1-[(2S)-4-(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) | 3.48 | 8.07 | -51.84 | 3 | 7 | 1 | 75 | 403.89 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 5.59 | -11.7 | 2 | 7 | 0 | 74 | 402.882 | 5 | ↓ |