| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 21 | Yes |
Popular Name: (2S)-1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]azepane-2-carboxylic (2S)-1-[[1-(1-ethylpropyl)pyrazo…
| 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) | 1.36 | 9.91 | -30.16 | 1 | 5 | 0 | 62 | 293.411 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 7.7 | -54.84 | 0 | 5 | -1 | 61 | 292.403 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
