In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 15 | Yes |
Popular Name: 1-[(2R)-3-(ethylamino)-2-hydroxy-propyl]azepan-2-one 1-[(2R)-3-(ethylamino)-2-hydroxy…
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) | 0.24 | 2.97 | -40.68 | 3 | 4 | 1 | 57 | 215.317 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.24 | 1.54 | -8.25 | 2 | 4 | 0 | 53 | 214.309 | 5 | ↓ |