In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: N-isobutyl-N-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]-N',N'-dimethyl-ethane-1,2-diamine N-isobutyl-N-[[(2R,4S)-4-methoxy…
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) | 1.37 | 5.35 | -90.58 | 3 | 4 | 2 | 34 | 259.438 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 4.09 | -36.41 | 2 | 4 | 1 | 29 | 258.43 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 3 | -34.31 | 2 | 4 | 1 | 32 | 258.43 | 8 | ↓ |