In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2010 | 25 | No |
Popular Name: 2-[2-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethyl]isoindoline-1,3-dione 2-[2-[4-(pyrrolidin-1-ylmethyl)-…
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) | 2.76 | 11.05 | -95.23 | 2 | 5 | 2 | 48 | 343.471 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 8.82 | -39.14 | 1 | 5 | 1 | 47 | 342.463 | 5 | ↓ |