| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 21 | Yes |
Popular Name: 2-[(2S)-1-isopentyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol 2-[(2S)-1-isopentyl-4-[(1-methyl…
| 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) | 1.29 | 4.03 | -37.49 | 2 | 5 | 1 | 46 | 295.451 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 1.86 | -7.31 | 1 | 5 | 0 | 45 | 294.443 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 4.11 | -41.63 | 2 | 5 | 1 | 46 | 295.451 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
