In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (3R)-3-[(3-ethoxy-4-hydroxy-phenyl)methylamino]azepan-2-one (3R)-3-[(3-ethoxy-4-hydroxy-phen…
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) | 1.21 | 3.07 | -48.67 | 4 | 5 | 1 | 75 | 279.36 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 2.81 | -9.98 | 3 | 5 | 0 | 71 | 278.352 | 5 | ↓ |