| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 20 | No |
Popular Name: (3R)-N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4-tert-butylpiperazin…
| 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) | 0.72 | 2.19 | -113.65 | 3 | 5 | 2 | 58 | 305.488 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | -1.12 | -10.78 | 1 | 5 | 0 | 53 | 303.472 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 1.01 | -41.04 | 2 | 5 | 1 | 54 | 304.48 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
