In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 29 | Yes |
Popular Name: 3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromone 3-(2-bromophenoxy)-7-hydroxy-2-m…
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) | 5.33 | 11.57 | -48.35 | 2 | 5 | 1 | 64 | 459.36 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.33 | 12.14 | -32.95 | 1 | 5 | 0 | 67 | 458.352 | 4 | ↓ |