In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2010 | 31 | Yes |
Popular Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-[4-(4-methylpiperazin-1-yl)butoxy]chromen-4-one 5-hydroxy-3-(4-hydroxyphenyl)-7-…
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) | 3.27 | 6.37 | -49.66 | 3 | 7 | 1 | 88 | 425.505 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.27 | 4.11 | -14.08 | 2 | 7 | 0 | 86 | 424.497 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 6.49 | -46.15 | 3 | 7 | 1 | 88 | 425.505 | 7 | ↓ |