In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: (2S,5S)-5-ethyl-4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-2-methyl-morpholine (2S,5S)-5-ethyl-4-[[(2S,4S)-4-me…
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) | 1.29 | 2.6 | -38.87 | 2 | 4 | 1 | 38 | 243.371 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 1.05 | -3.21 | 1 | 4 | 0 | 34 | 242.363 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.29 | 4.22 | -116.6 | 3 | 4 | 2 | 40 | 244.379 | 4 | ↓ |