| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | No |
Popular Name: (3R)-3-[(3S)-3-(2-aminoethyl)-1-piperidyl]pyrrolidine-2,5-dione (3R)-3-[(3S)-3-(2-aminoethyl)-1-…
| 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) | -1.26 | -1.48 | -49.46 | 4 | 5 | 1 | 77 | 226.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.08 | -4.04 | -73.6 | 3 | 5 | 0 | 83 | 225.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.08 | -1.6 | -93.09 | 4 | 5 | 1 | 85 | 226.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
