In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 19 | Yes |
Popular Name: 2-ethyl-1-[4-hydroxy-4-(propylaminomethyl)-1-piperidyl]butan-1-one 2-ethyl-1-[4-hydroxy-4-(propylam…
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) | 1.93 | 4.9 | -47.61 | 3 | 4 | 1 | 57 | 271.425 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 3.4 | -8.92 | 2 | 4 | 0 | 53 | 270.417 | 7 | ↓ |