In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 14 | No |
Popular Name: (3R)-3-[[(3S)-tetrahydrofuran-3-yl]methylamino]pyrrolidine-2,5-dione (3R)-3-[[(3S)-tetrahydrofuran-3-…
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) | -0.87 | -0.66 | -54.69 | 3 | 5 | 1 | 72 | 199.23 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.87 | -1.9 | -9.1 | 2 | 5 | 0 | 67 | 198.222 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.87 | -1.91 | -10.55 | 2 | 5 | 0 | 67 | 198.222 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.68 | -3.2 | -47.41 | 2 | 5 | 0 | 78 | 198.222 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.68 | -3.21 | -45.48 | 2 | 5 | 0 | 78 | 198.222 | 3 | ↓ |