| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | Yes |
Popular Name: (1S)-1-(1-ethylimidazol-2-yl)-N-methyl-1-quinoxalin-6-yl-methanamine (1S)-1-(1-ethylimidazol-2-yl)-N-…
| 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) | 1.58 | 4.59 | -34.43 | 2 | 5 | 1 | 57 | 268.344 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 4.09 | -10.96 | 1 | 5 | 0 | 56 | 267.336 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 5.27 | -43.92 | 2 | 5 | 1 | 60 | 268.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 5.83 | -114.4 | 3 | 5 | 2 | 61 | 269.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
