| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 17 | Yes |
Popular Name: 2-[(2S)-2-(1-isobutylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(1-isobutylpyrazol-3-y…
| 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) | 0.94 | 3.62 | -44.21 | 3 | 4 | 1 | 49 | 237.371 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 5.35 | -27.45 | 3 | 4 | 1 | 48 | 237.371 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.94 | 5.79 | -108.85 | 4 | 4 | 2 | 50 | 238.379 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
