| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 19 | Yes |
Popular Name: [(2S,4R)-4-aminopyrrolidin-2-yl]-(4-isobutyl-1,4-diazepan-1-yl)methanone [(2S,4R)-4-aminopyrrolidin-2-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) | -0.28 | 2.98 | -103.56 | 5 | 5 | 2 | 64 | 270.421 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 2.73 | -39.75 | 4 | 5 | 1 | 63 | 269.413 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
