| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: (3S)-3-[[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]amino]azepan-2-one (3S)-3-[[(1S)-1-(2,4,6-trimethyl…
| 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) | 2.02 | 5.54 | -39.97 | 3 | 4 | 1 | 59 | 276.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 5.7 | -35.09 | 3 | 4 | 1 | 55 | 276.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 5.31 | -9.82 | 2 | 4 | 0 | 54 | 275.396 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 5.92 | -95.68 | 4 | 4 | 2 | 60 | 277.412 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
