In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 26 | No |
Popular Name: (6E)-6-[(5S)-1-benzoyl-5-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one (6E)-6-[(5S)-1-benzoyl-5-phenyl-…
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) | 4.54 | 10.03 | -12.61 | 1 | 4 | 0 | 53 | 342.398 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.54 | 10.78 | -47.7 | 0 | 4 | -1 | 56 | 341.39 | 3 | ↓ |