In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 32 | Yes |
Popular Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-methyl-BLAHdione 2-[4-(2-methoxyphenyl)piperazin-…
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) | 2.10 | 8.06 | -36.5 | 2 | 8 | 1 | 75 | 456.592 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 5.85 | -11.58 | 1 | 8 | 0 | 74 | 455.584 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.10 | 10.48 | -87.92 | 3 | 8 | 2 | 76 | 457.6 | 5 | ↓ |