In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: [(3S)-3-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-[(2S,5S)-5-ethyl-2-methy…
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) | 1.11 | 3.38 | -113.25 | 4 | 4 | 2 | 45 | 271.449 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 3.24 | -34.66 | 3 | 4 | 1 | 43 | 270.441 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 0.91 | -42.07 | 3 | 4 | 1 | 43 | 270.441 | 4 | ↓ |