| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 34 | Yes |
Popular Name: (2S)-1-(4-methoxyphenoxy)-3-(4-BLAHylpiperazin-1-yl)propan-2-ol (2S)-1-(4-methoxyphenoxy)-3-(4-B…
| 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) | 4.63 | 10.31 | -40.42 | 2 | 5 | 1 | 46 | 459.61 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.63 | 8.73 | -8.38 | 1 | 5 | 0 | 45 | 458.602 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.63 | 11.08 | -50.51 | 2 | 5 | 1 | 46 | 459.61 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
