| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: (S)-[(2S)-azepan-2-yl]-(1-methylpyrazol-4-yl)methanol (S)-[(2S)-azepan-2-yl]-(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) | 0.69 | 2.39 | -38.39 | 3 | 4 | 1 | 55 | 210.301 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 1.23 | -5.4 | 2 | 4 | 0 | 50 | 209.293 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
