| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 18 | Yes |
Popular Name: [(2S)-4-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]morpholin-2-yl]methanamine [(2S)-4-[(1-allyl-3-methyl-pyraz…
| 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) | -0.38 | 1.59 | -45.4 | 3 | 5 | 1 | 58 | 251.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 1.2 | -6.76 | 2 | 5 | 0 | 56 | 250.346 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.38 | 3.87 | -108.32 | 4 | 5 | 2 | 59 | 252.362 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
