In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: [(3S)-1-isopropyl-3-[(6S)-2,2,6-trimethylmorpholin-4-yl]pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-[(6S)-2,2,6-…
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) | 1.06 | 3.94 | -111.18 | 4 | 4 | 2 | 45 | 271.449 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 1.36 | -45.13 | 3 | 4 | 1 | 43 | 270.441 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 3.19 | -33.93 | 3 | 4 | 1 | 43 | 270.441 | 3 | ↓ |