In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 23 | Yes |
Popular Name: 1-[(4-ethoxyphenyl)methyl]-4-(3-pyridylmethyl)piperazine 1-[(4-ethoxyphenyl)methyl]-4-(3-…
None
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) | 2.23 | 7.92 | -42.68 | 1 | 4 | 1 | 30 | 312.437 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 7.91 | -42.18 | 1 | 4 | 1 | 30 | 312.437 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 5.59 | -6.42 | 0 | 4 | 0 | 29 | 311.429 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 8.32 | -88.79 | 2 | 4 | 2 | 31 | 313.445 | 6 | ↓ |