In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 16 | Yes |
Popular Name: 1-[(2S,4R)-4-methoxypyrrolidin-2-yl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]methanamine 1-[(2S,4R)-4-methoxypyrrolidin-2…
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) | 0.50 | 1.54 | -36.92 | 3 | 4 | 1 | 47 | 229.344 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 1.47 | -37.33 | 3 | 4 | 1 | 47 | 229.344 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 2.87 | -119.75 | 4 | 4 | 2 | 52 | 230.352 | 5 | ↓ |