| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: 2-(isopropylamino)-1-[(2R)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]ethanone 2-(isopropylamino)-1-[(2R)-2-(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) | 1.05 | 5.14 | -42.25 | 2 | 5 | 1 | 63 | 252.338 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 3.93 | -12.96 | 1 | 5 | 0 | 58 | 251.33 | 4 | ↓ |
