In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: 4-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]-3,3-dimethyl-morpholine 4-[[(2R,4S)-4-methoxypyrrolidin-…
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) | 0.87 | 0.95 | -37.45 | 2 | 4 | 1 | 38 | 229.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.87 | -0.44 | -3.29 | 1 | 4 | 0 | 34 | 228.336 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.87 | 3.21 | -113.7 | 3 | 4 | 2 | 40 | 230.352 | 3 | ↓ |