| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | No |
Popular Name: (3S)-3-methyl-1,1-dioxo-N-[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]thiolan-3-amine (3S)-3-methyl-1,1-dioxo-N-[(1R)-…
| 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) | 1.99 | 3.44 | -55.4 | 2 | 4 | 1 | 64 | 297.444 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 3.82 | -113.79 | 3 | 4 | 2 | 65 | 298.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 3.93 | -38.9 | 2 | 4 | 1 | 60 | 297.444 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 3.54 | -15.58 | 1 | 4 | 0 | 59 | 296.436 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
