In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 31 | No |
Popular Name: (5S)-5-(2-fluorophenyl)-3-hydroxy-1-(m-tolyl)-4-[(E)-3-phenylprop-2-enoyl]-5H-pyrrol-2-one (5S)-5-(2-fluorophenyl)-3-hydrox…
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) | 4.99 | 13.23 | -45.55 | 0 | 4 | -1 | 60 | 412.44 | 4 | ↓ |
Ref Reference (pH 7) | 4.99 | 13.01 | -49.8 | 0 | 4 | -1 | 60 | 412.44 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.99 | 12.55 | -18.97 | 1 | 4 | 0 | 58 | 413.448 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.41 | 12.93 | -9.97 | 0 | 4 | 0 | 54 | 413.448 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.99 | 12.26 | -10.32 | 1 | 4 | 0 | 58 | 413.448 | 5 | ↓ |