| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-pyrimidin-4-yl-ethanamine (2S)-2-(4-methyl-2,3-dihydroquin…
| 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) | 0.66 | 6 | -52.4 | 3 | 5 | 1 | 60 | 270.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 5.3 | -7.22 | 2 | 5 | 0 | 58 | 269.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 6.61 | -104.95 | 4 | 5 | 2 | 61 | 271.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
