| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: [3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]pyrazin-2-yl]methanamine [3-[4-[(1S)-1-methylpropyl]piper…
| 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) | 0.98 | 4.12 | -101.19 | 4 | 5 | 2 | 61 | 251.378 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 3.72 | -36.97 | 3 | 5 | 1 | 59 | 250.37 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 2.03 | -4.57 | 2 | 5 | 0 | 58 | 249.362 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 2.37 | -44.31 | 3 | 5 | 1 | 60 | 250.37 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
