In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 19 | Yes |
Popular Name: 1-[(4-ethyl-4-piperidyl)methyl]-4-isobutyl-piperazine 1-[(4-ethyl-4-piperidyl)methyl]-…
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) | 2.14 | 8.79 | -84.57 | 3 | 3 | 2 | 24 | 269.477 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 6.81 | -38.51 | 2 | 3 | 1 | 23 | 268.469 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.