| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 16 | No |
Popular Name: (3S)-3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-ethyl-pyrrolidine-2,5-dione (3S)-3-[[(1R)-2-cyclopropyl-1-me…
| 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) | 0.74 | 5.46 | -47.56 | 2 | 4 | 1 | 54 | 225.312 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 4.31 | -7.59 | 1 | 4 | 0 | 49 | 224.304 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 4.33 | -6.27 | 1 | 4 | 0 | 49 | 224.304 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
