In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | Yes |
Popular Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]chromen-4-one 7-hydroxy-3-(4-methoxyphenyl)-8-…
None
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) | 3.98 | 8.25 | -40.54 | 2 | 7 | 1 | 80 | 444.511 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.98 | 7.92 | -14.9 | 1 | 7 | 0 | 79 | 443.503 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.98 | 10.16 | -52.6 | 2 | 7 | 1 | 80 | 444.511 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.98 | 10.47 | -110.58 | 3 | 7 | 2 | 81 | 445.519 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.