| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: 1-[(2R,3S)-4-isopropyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-2-yl]-N-methyl-methanamine 1-[(2R,3S)-4-isopropyl-3-(1,3,5-…
| 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) | 1.04 | 4.43 | -40.43 | 2 | 5 | 1 | 47 | 281.424 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 3.01 | -5.82 | 1 | 5 | 0 | 42 | 280.416 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 4.9 | -96.54 | 3 | 5 | 2 | 48 | 282.432 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
