In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
Popular Name: (2Z)-6-hydroxy-7-[(4-phenylpiperazin-1-yl)methyl]-2-(3-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-7-[(4-phenylpiper…
None
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) | 3.28 | 7.78 | -10.47 | 1 | 6 | 0 | 70 | 413.477 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 8.38 | -41.05 | 0 | 6 | -1 | 73 | 412.469 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 10.02 | -51.54 | 2 | 6 | 1 | 71 | 414.485 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 10.6 | -32.99 | 1 | 6 | 0 | 74 | 413.477 | 4 | ↓ |