| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 21 | Yes |
Popular Name: (2S)-3,3-dimethyl-1-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]butan-2-ol (2S)-3,3-dimethyl-1-[4-[(5-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) | 1.45 | 3.24 | -38.01 | 2 | 5 | 1 | 54 | 293.435 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 0.98 | -6.73 | 1 | 5 | 0 | 52 | 292.427 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 3.26 | -37.98 | 2 | 5 | 1 | 54 | 293.435 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
