| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 16 | Yes |
Popular Name: [(2S)-2-ethylpyrrolidin-1-yl]-[(2R,5R)-5-methylpiperazin-2-yl]methanone [(2S)-2-ethylpyrrolidin-1-yl]-[(…
| 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) | 0.68 | 2.26 | -45.53 | 3 | 4 | 1 | 49 | 226.344 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 0.99 | -7.71 | 2 | 4 | 0 | 44 | 225.336 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
