| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: (5S)-9-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-9-methyl-N-[(5-methylpyrazi…
| 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) | 1.74 | 6.89 | -38.76 | 2 | 4 | 1 | 52 | 284.383 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 5.97 | -6.97 | 1 | 4 | 0 | 47 | 283.375 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
