In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: 1-[4-[[(3R)-1-isopropylpyrrolidin-3-yl]amino]-1-piperidyl]-2-methoxy-ethanone 1-[4-[[(3R)-1-isopropylpyrrolidi…
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) | 0.64 | 5.34 | -42.71 | 2 | 5 | 1 | 46 | 284.424 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 2.98 | -11.27 | 1 | 5 | 0 | 45 | 283.416 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.65 | 4 | -52.12 | 2 | 5 | 1 | 49 | 284.424 | 5 | ↓ |