| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 16 | Yes |
Popular Name: [(2R,4R)-4-hydroxypyrrolidin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone [(2R,4R)-4-hydroxypyrrolidin-2-y…
| 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) | -0.91 | 1.63 | -95.13 | 4 | 5 | 2 | 62 | 229.324 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | -0.39 | -41.59 | 3 | 5 | 1 | 60 | 228.316 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | -1.76 | -10.32 | 2 | 5 | 0 | 56 | 227.308 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | 0.26 | -43.9 | 3 | 5 | 1 | 57 | 228.316 | 1 | ↓ |
