| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 17 | Yes |
Popular Name: (2S)-1-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]propan-2-amine (2S)-1-[1-[(1-ethylpyrazol-4-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) | -0.17 | 4.72 | -42.54 | 3 | 5 | 1 | 63 | 234.327 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.17 | 4.41 | -10.93 | 2 | 5 | 0 | 62 | 233.319 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 5.3 | -107.61 | 4 | 5 | 2 | 65 | 235.335 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
