In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 21 | Yes |
Popular Name: (2S)-1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol (2S)-1-(dimethylamino)-3-[4-(2-m…
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) | 1.32 | 3.85 | -37.9 | 2 | 5 | 1 | 40 | 294.419 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 1.33 | -6.23 | 1 | 5 | 0 | 39 | 293.411 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.32 | 6.13 | -101.36 | 3 | 5 | 2 | 42 | 295.427 | 6 | ↓ |