| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 20 | Yes |
Popular Name: (2S)-3,3-dimethyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-2-ol (2S)-3,3-dimethyl-1-[4-[(1-methy…
| 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) | 0.85 | 2.45 | -29.2 | 2 | 5 | 1 | 46 | 281.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 1.77 | -8.09 | 1 | 5 | 0 | 45 | 280.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 4.76 | -85.4 | 3 | 5 | 2 | 47 | 282.432 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
