| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 25 | Yes |
Popular Name: (2S)-1-[4-[[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[methyl-[(3-methylqui…
| 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) | 2.53 | 4.96 | -39.15 | 2 | 5 | 1 | 54 | 343.495 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 2.65 | -10.32 | 1 | 5 | 0 | 52 | 342.487 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 6.97 | -101.93 | 3 | 5 | 2 | 55 | 344.503 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
