| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 22 | No |
Popular Name: (3R,4R)-4-[[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]amino]-1,1-dioxo-thiolan-3-ol (3R,4R)-4-[[(2S)-2-dimethylamino…
None
| 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) | 1.23 | 3.03 | -139.39 | 4 | 5 | 2 | 75 | 328.478 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 1.96 | -51.9 | 3 | 5 | 1 | 71 | 327.47 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 3.56 | -107.58 | 3 | 5 | 1 | 78 | 327.47 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 1.07 | -55.35 | 3 | 5 | 1 | 74 | 327.47 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | -0.44 | -12.98 | 2 | 5 | 0 | 70 | 326.462 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
