| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: (3S)-N-[(3R)-1,1-dioxothian-3-yl]-N-ethyl-piperidin-3-amine (3S)-N-[(3R)-1,1-dioxothian-3-yl…
| 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) | 0.33 | -0.42 | -10.32 | 1 | 4 | 0 | 49 | 260.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 0.79 | -49.64 | 2 | 4 | 1 | 54 | 261.411 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.33 | 1.46 | -45.85 | 2 | 4 | 1 | 51 | 261.411 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.33 | 2.78 | -127.25 | 3 | 4 | 2 | 55 | 262.419 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
