| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: (1S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[(5-methylpyrazin-2-yl)me…
| 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) | 2.17 | 5.57 | -29.12 | 2 | 4 | 1 | 52 | 271.388 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 5.78 | -44.18 | 2 | 4 | 1 | 55 | 271.388 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 5.18 | -7.29 | 1 | 4 | 0 | 51 | 270.38 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 6.15 | -95.4 | 3 | 4 | 2 | 57 | 272.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
