In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2011 | 26 | Yes |
Popular Name: 1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[3-(N-methylanilino)propyl]urea 1-(6-bromo-2,3-dihydro-1,4-benzo…
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) | 3.69 | 7.28 | -11.2 | 2 | 6 | 0 | 63 | 420.307 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 7.71 | -30.05 | 3 | 6 | 0 | 64 | 421.315 | 6 | ↓ |