In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 28 | Yes |
Popular Name: 4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(propanoylamino)benzoic 4-[4-(2-oxo-2-pyrrolidin-1-yl-et…
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) | 1.58 | 7.13 | -100.57 | 2 | 8 | 0 | 97 | 388.468 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 4.91 | -70.18 | 1 | 8 | -1 | 96 | 387.46 | 6 | ↓ |