In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 15 | Yes |
Popular Name: azepan-1-yl-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone azepan-1-yl-[(2R,4R)-4-hydroxypy…
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) | 0.34 | 1.55 | -41.67 | 3 | 4 | 1 | 57 | 213.301 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.34 | 0.19 | -9.39 | 2 | 4 | 0 | 53 | 212.293 | 1 | ↓ |