In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 21 | Yes |
Popular Name: 4-(2-methylallyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one 4-(2-methylallyl)-6-piperazin-1-…
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) | 1.80 | 4.4 | -52.04 | 2 | 5 | 1 | 49 | 288.371 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 2.99 | -6.9 | 1 | 5 | 0 | 45 | 287.363 | 3 | ↓ |