| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 20 | Yes |
Popular Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine N-[(1-tert-butylpyrazol-4-yl)met…
| 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) | 1.30 | 4.44 | -41.06 | 2 | 5 | 1 | 47 | 281.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 3.02 | -6.15 | 1 | 5 | 0 | 42 | 280.416 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 6.72 | -103.05 | 3 | 5 | 2 | 48 | 282.432 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 5.31 | -37.93 | 2 | 5 | 1 | 44 | 281.424 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
