| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 15 | Yes |
Popular Name: 2-[(2R)-2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(1,5-dimethylpyrazol-3…
| 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) | 0.04 | 1.69 | -43.76 | 3 | 4 | 1 | 49 | 209.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.04 | 3.53 | -28.88 | 3 | 4 | 1 | 48 | 209.317 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 1.87 | -85.56 | 4 | 4 | 2 | 50 | 210.325 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 4.06 | -191.92 | 5 | 4 | 3 | 51 | 211.333 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 3.91 | -107.12 | 4 | 4 | 2 | 50 | 210.325 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
