| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 14 | Yes |
Popular Name: 2-[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(2-methylpyrazol-3-yl)…
| 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) | -0.18 | 1.29 | -49.13 | 3 | 4 | 1 | 49 | 195.29 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | 2.63 | -36.9 | 3 | 4 | 1 | 48 | 195.29 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.18 | 3.03 | -122.09 | 4 | 4 | 2 | 50 | 196.298 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
