| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: 1-tert-butyl-N-[(3S)-1,1-dioxothian-3-yl]piperidin-4-amine 1-tert-butyl-N-[(3S)-1,1-dioxoth…
| 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) | 1.49 | 3.29 | -40.98 | 2 | 4 | 1 | 51 | 289.465 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.49 | 4.3 | -121.71 | 3 | 4 | 2 | 55 | 290.473 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
