| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (2S,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)azepan-3-amine (2S,3S)-1-ethyl-2-(1-methylpyraz…
| 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) | 0.45 | 2.05 | -37.48 | 3 | 4 | 1 | 49 | 223.344 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 1.82 | -4.1 | 2 | 4 | 0 | 47 | 222.336 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 4.2 | -106.63 | 4 | 4 | 2 | 50 | 224.352 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 3.86 | -29.8 | 3 | 4 | 1 | 48 | 223.344 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
