In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: [(3S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-[(2S,6S)-2,6-dimethylmor…
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) | 0.61 | 3.3 | -109.97 | 4 | 4 | 2 | 45 | 257.422 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 0.74 | -44.52 | 3 | 4 | 1 | 43 | 256.414 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 2.77 | -32.03 | 3 | 4 | 1 | 43 | 256.414 | 3 | ↓ |