| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 32 | No |
Popular Name: (5S)-1-(2-diethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-4-(…
| 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) | 3.26 | 11.34 | -65.36 | 1 | 8 | 0 | 111 | 441.459 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 9.05 | -48.57 | 0 | 8 | -1 | 109 | 440.451 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.26 | 10.52 | -55.38 | 2 | 8 | 1 | 108 | 442.467 | 9 | ↓ |
